SCHEMBL31409705

SCHEMBL31409705

Cc1cc(Oc2ccc(C(F)(F)F)cc2)cc(-c2c[nH]c3ccnc(Cl)c23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.36
GSK3B P49841 1/20 0.33
DRD1 P21728 2/20 0.32
KCNH2 Q12809 3/20 0.32
SCN9A Q15858 1/20 0.32
CLK1 P49759 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
NPBWR1 P48145 1/20 0.31
MCHR1 Q99705 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
ROS1 P08922 1/20 0.31
TTBK1 Q5TCY1 1/20 0.31
PIM1 P11309 2/20 0.31
PIM3 Q86V86 2/20 0.31
HTR2A P28223 2/20 0.31
SLC6A4 P31645 2/20 0.31

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
SCHEMBL31409641 0.74 S1PR1 (0.35) DYRK1AGSK3BKCNH2SCN9ACLK1
SCHEMBL3192003 0.73 LTA4H (0.41) DYRK1APIM1PIM3
SCHEMBL31409643 0.73 CYP1A2 (0.34) DYRK1ASCN9AMAPTPIM1
SCHEMBL31409562 0.72 BRD4 (0.35) LMNAMAPTHTTBRD4
SCHEMBL31409572 0.72 SCN9A (0.33) GSK3BSCN9ALMNAMAPTHTT
SCHEMBL31409647 0.72 DGAT1 (0.37) NPBWR1MCHR1BRD4
SCHEMBL31617408 0.71 NPBWR1 (0.33) KCNH2NPBWR1MCHR1HTR2ASLC6A4
SCHEMBL31617409 0.71 NPBWR1 (0.33) KCNH2NPBWR1MCHR1HTR2ASLC6A4
SCHEMBL15084530 0.71 CDK5 (0.41) DYRK1AGSK3BCLK1CDK5CDK5R1
SCHEMBL31409697 0.70 SYK (0.38) DYRK1AGSK3BCDK2

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