SCHEMBL24328692

SCHEMBL24328692

CNC(=S)NNc1ncc(-c2ccc(C(F)(F)F)cc2)nc1-c1cnn(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 1/20 0.40
TEK Q02763 1/20 0.40
KCNH2 Q12809 4/20 0.37
NPBWR1 P48145 1/20 0.37
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
MAPK1 P28482 3/20 0.35
MAPT P10636 1/20 0.35
CCNK O75909 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
NTRK1 P04629 1/20 0.35
CHEK1 O14757 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AURKB Q96GD4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL24327987 0.87 LMNA (0.41) EPHB4TEKKCNH2CCNKCCNA2
SCHEMBL24328691 0.81 EPHB4 (0.46) EPHB4TEKKCNH2NPBWR1FGFR2
SCHEMBL29498914 0.81 EPHB4 (0.46) EPHB4TEKKCNH2NPBWR1FGFR2
SCHEMBL29601464 0.76 KDR (0.44) FGFR3MAPK1CDK2CHEK1AURKB
SCHEMBL24327773 0.75 KCNH2 (0.55) EPHB4TEKKCNH2NPBWR1FGFR2
SCHEMBL28724019 0.69 FGFR3 (0.51) KCNH2FGFR2FGFR3MAPK1CDK2
SCHEMBL24327879 0.67 TEK (0.45) EPHB4TEKKCNH2NPBWR1MAPK1
SCHEMBL24327401 0.67 LRRK2 (0.45) EPHB4TEKFGFR2FGFR3MAPK1
SCHEMBL24539466 0.67 MAPK1 (0.41) EPHB4TEKFGFR2FGFR3MAPK1
SCHEMBL24327324 0.66 FGFR3 (0.50) KCNH2FGFR2FGFR3MAPK1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022078356-A1 HETEROAROMATIC AHR INHIBITOR 山东轩竹医药科技有限公司 2022-04-21 WO disclosed