SCHEMBL31662894

SCHEMBL31662894

CCn1nc(-c2ccc(C=O)c(C3CC3)c2)cc1-c1ccc(F)nc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.32
JAK2 O60674 1/20 0.32
RET P07949 1/20 0.32
KDR P35968 1/20 0.32
GSK3A P49840 1/20 0.32
RPS6KA3 P51812 1/20 0.32
LIMK1 P53667 1/20 0.32
MAP2K1 Q02750 1/20 0.32
DYRK1A Q13627 1/20 0.32
MAPK14 Q16539 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
ALK Q9UM73 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
MET P08581 3/20 0.32
MAP3K12 Q12852 2/20 0.32
PRCP P42785 1/20 0.31
BCL2A1 Q16548 1/20 0.31
CHRM4 P08173 1/20 0.31
AOC3 Q16853 2/20 0.30
GRIN1 Q05586 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
SCHEMBL31663003 0.88 MET (0.35) SYKMETMAP3K12PRCPAOC3
SCHEMBL31663301 0.87 USP1 (0.34) SYKMAP3K12
SCHEMBL31663322 0.74 STIM1 (0.35) SYKMAP3K12
SCHEMBL31663278 0.70 GRIN2B (0.37) GRIN1GRIN2B
SCHEMBL31663184 0.69 PTGES (0.38) SYKMAP3K12GRIN1GRIN2B
SCHEMBL31662943 0.66 PDE4D (0.38)
SCHEMBL2308314 0.64 PTGDR2 (0.38)
SCHEMBL14969291 0.60 ERN1 (0.46) KDRGRIN1GRIN2B
SCHEMBL27848652 0.60 PTGDR2 (0.43)
SCHEMBL1225967 0.58 ALDH1A1 (0.41)

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-2025149498-A1 BENZYLPIPERIDINE DERIVATIVES AS TRP4 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2025-07-17 WO disclosed