SCHEMBL300845

SCHEMBL300845

COc1ccccc1-n1cnc2c(C(N)=O)nc(-c3cccc(O)c3)nc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.49
KDM4E B2RXH2 3/20 0.45
GLA P06280 2/20 0.45
TP53 P04637 3/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 4/20 0.44
PIK3CD O00329 7/20 0.44
PIK3CB P42338 7/20 0.44
PIK3CG P48736 7/20 0.44
PIK3CA P42336 6/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 2/20 0.42
CHKA P35790 1/20 0.41
USP2 O75604 1/20 0.40
ESR1 P03372 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27796479 0.83 XDH (0.53) TP53MAPTLMNAPIK3CDPIK3CB
SCHEMBL300887 0.83 LMNA (0.51) THRBKDM4EGLATP53MAPT
SCHEMBL301187 0.82 MAPK8 (0.41) THRBTP53LMNATSHRMAPK1
SCHEMBL28142358 0.81 CHKA (0.39) KDM4ETP53MAPTLMNAALDH1A1
SCHEMBL5035054 0.72 DHPS (0.51) THRBPIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL300902 0.72 THRB (0.43) THRBKDM4EGLATP53MAPT
SCHEMBL300925 0.72 PIK3CD (0.70) KDM4EGLATP53MAPTLMNA
SCHEMBL27879147 0.70 XDH (0.53) KDM4EMAPTLMNAALDH1A1GAA
SCHEMBL27796448 0.69 PIK3CD (0.71) KDM4EGLATP53MAPTLMNA
SCHEMBL297838 0.69 KDM4E (0.60) KDM4EGLATP53MAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078018-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARM LLC (US) 2012-03-14 EP claimed
CN-109846884-A With TOR kinase inhibitor for treating cancer 西格诺药品有限公司 2019-06-07 CN disclosed
CN-108992446-A With TOR kinase inhibitor for treating cancer 西格诺药品有限公司 2018-12-14 CN disclosed
CN-104271159-B The method that non-small cell lung cancer is treated using the therapeutic alliance of TOR kinase inhibitors 西格诺药品有限公司 2017-11-28 CN disclosed
CN-107157990-A Utilize TOR kinase inhibitor for treating cancers 西格诺药品有限公司 2017-09-15 CN disclosed
CN-107137402-A With TOR kinase inhibitor for treating cancers 西格诺药品有限公司 2017-09-08 CN disclosed
CN-104302295-B Treatment of cancer with TOR kinase inhibitors 西格诺药品有限公司 2017-06-20 CN disclosed
CN-103998036-B Treatment of cancer with TOR kinase inhibitors 西格诺药品有限公司 2017-05-31 CN disclosed
CN-105050601-A Treatment of prostate cancer with TOR kinase inhibitors SIGNAL PHARM LLC 2015-11-11 CN disclosed
CN-104519885-A Treatment of cancer with TOR kinase inhibitors SIGNAL PHARM LLC 2015-04-15 CN disclosed
CN-104302295-A Treatment of cancer with tor kinase inhibitors SIGNAL PHARM LLC 2015-01-21 CN disclosed
CN-104271139-A Treatment of cancer with tor kinase inhibitors SIGNAL PHARM LLC 2015-01-07 CN disclosed
CN-104271159-A Methods for treating non- small cell lung cancer using tor kinase inhibitor combination therapy SIGNAL PHARM LLC 2015-01-07 CN disclosed
CN-104271138-A Treatment of cancer with tor kinase inhibitors SIGNAL PHARM LLC 2015-01-07 CN disclosed
CN-103998036-A Treatment of cancer with TOR kinase inhibitors SIGNAL PHARM LLC 2014-08-20 CN disclosed
CN-102821767-A IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS SIGNAL PHARM LLC 2012-12-12 CN disclosed
EP-2078018-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
WO-2008051494-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO disclosed