SCHEMBL300902

SCHEMBL300902

COc1ccccc1N1CC(=O)Nc2c(C(N)=O)nc(-c3cccc(O)c3)nc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 3/20 0.42
GLA P06280 2/20 0.42
PIK3CD O00329 10/20 0.41
PIK3CB P42338 9/20 0.41
PIK3CG P48736 9/20 0.41
PIK3CA P42336 8/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BRD4 O60885 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4049129 0.88 TP53 (0.42) TP53MAPTKDM4EGLALMNA
SCHEMBL27796461 0.86 CSNK2A1 (0.47) TP53MAPTPIK3CDPIK3CBPIK3CG
SCHEMBL28299564 0.83 GRM5 (0.38) MAPTKDM4EPIK3CAALDH1A1GAA
SCHEMBL300845 0.72 THRB (0.49) THRBTP53MAPTKDM4EGLA
SCHEMBL300899 0.70 CSNK2A1 (0.41) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL301294 0.70 KDM4E (0.43) MAPTKDM4EGLALMNAALDH1A1
SCHEMBL5035054 0.69 DHPS (0.51) THRBPIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL300925 0.68 PIK3CD (0.70) TP53MAPTKDM4EGLAPIK3CD
SCHEMBL300813 0.67 KDM4E (0.74) TP53MAPTKDM4EGLAPIK3CD
SCHEMBL28901024 0.66 KDM4E (0.58) TP53MAPTKDM4EGLAPIK3CD

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 5 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-104271139-A Treatment of cancer with tor kinase inhibitors 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-102821767-A IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS SIGNAL PHARM LLC 2012-12-12 CN disclosed