SCHEMBL22902580

SCHEMBL22902580

CCOC(=O)c1cc(C)nc(Cl)c1N

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.53
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.47
CASP1 P29466 2/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACHE P22303 4/20 0.44
MAPK1 P28482 1/20 0.44
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL29522769 0.88 KDM4E (0.47) IKBKBKMT2AMEN1TSHRKDM4E
SCHEMBL1841951 0.88 KDM4E (0.47) IKBKBKMT2AMEN1TSHRKDM4E
SCHEMBL26040460 0.84 KDM4E (0.54) KMT2AKDM4EALDH1A1HSD17B10GAA
SCHEMBL7016542 0.80 IKBKB (0.55) IKBKBKMT2AMEN1TSHRKDM4E
SCHEMBL26040461 0.78 ALDH1A1 (0.55) KMT2AMEN1TSHRKDM4EALDH1A1
SCHEMBL21216359 0.78 POLB (0.58) IKBKBALDH1A1SMN1; SMN2MAPK1
SCHEMBL31353159 0.78 POLB (0.50) KMT2AMEN1TSHRKDM4EALDH1A1
SCHEMBL14625956 0.78 POLB (0.50) KMT2AMEN1TSHRKDM4EALDH1A1
SCHEMBL2806257 0.78 KDM4E (0.67) KMT2AMEN1TSHRKDM4EALDH1A1
SCHEMBL31558260 0.77 ALDH1A1 (0.44) IKBKBKMT2AMEN1TSHRKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025101598-A1 BI-CYCLIC PYRIMIDINE COMPOUNDS, METHODS AND USES THEREOF ZENO MANAGEMENT, INC. (US) 2025-05-15 WO disclosed
CN-114423757-B Tricyclic heteroaryl compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2024-07-02 CN disclosed
EP-3999508-B1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-30 EP disclosed
EP-3999508-B1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-30 EP disclosed
CN-114423757-A Tricyclic heteroaryl compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2022-04-29 CN disclosed
WO-2021011724-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-01-21 WO disclosed