SCHEMBL31409643

SCHEMBL31409643

Cc1cc(-c2c[nH]c3ccnc(Cl)c23)cc(Oc2ccc(C(F)(F)F)nc2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
GRM5 P41594 1/20 0.34
MAPK1 P28482 1/20 0.32
DYRK1A Q13627 3/20 0.32
NFATC1 O95644 1/20 0.32
KDM4E B2RXH2 2/20 0.31
PIM1 P11309 1/20 0.31
DYRK2 Q92630 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
CYP2C19 P33261 1/20 0.31
ATM Q13315 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SCN10A Q9Y5Y9 4/20 0.31
SCN8A Q9UQD0 2/20 0.31
SCN9A Q15858 6/20 0.31
FPR2 P25090 1/20 0.30
BLM P54132 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL31409687 0.77 GRM2 (0.30)
SCHEMBL31409607 0.77 CYP1A2 (0.34) CYP1A2CYP2C9GRM5MAPK1BLM
SCHEMBL31409676 0.76 JAK3 (0.35) DYRK1ANFATC1PIM1DYRK2DYRK1B
SCHEMBL31409705 0.73 DYRK1A (0.36) DYRK1APIM1MAPTSCN9A
SCHEMBL31409595 0.70 L3MBTL1 (0.44) CYP1A2CYP2C9KDM4ECYP2C19ATM
SCHEMBL3192003 0.66 LTA4H (0.41) CYP1A2CYP2C9DYRK1APIM1CYP2C19
SCHEMBL16396910 0.66 CYP1A2 (0.42) CYP1A2CYP2C9GRM5KDM4ECYP2C19
SCHEMBL14115579 0.64 LRRK2 (0.50) DYRK1APIM1
SCHEMBL16396103 0.63 CYP1A2 (0.44) CYP1A2CYP2C9GRM5KDM4ECYP2C19
SCHEMBL30591776 0.63 GRM5 (0.41) CYP1A2CYP2C9GRM5MAPTSCN10A

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-2025026997-A1 SUBSTITUED BICYCLIC HETEROCYCLIC YAP-TEAD AND/OR TAZ-TEAD INHIBITORS MERCK PATENT GMBH (DE) 2025-02-06 WO disclosed