SCHEMBL19783311

SCHEMBL19783311

COCc1cnc2c(-c3nc4c(C)cc(OCCNSc5ccc(F)cc5)cc4s3)cc(C(N)=O)cc2n1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 10/20 0.53
MAPK14 Q16539 2/20 0.33
ROCK2 O75116 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 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
SCHEMBL19783405 0.94 F2RL3 (0.56) F2RL3NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL30189667 0.86 F2RL3 (0.70) F2RL3MAPT
SCHEMBL19783301 0.86 F2RL3 (0.70) F2RL3MAPT
SCHEMBL19782945 0.85 F2RL3 (0.52) F2RL3
SCHEMBL19783423 0.83 F2RL3 (0.54) F2RL3
SCHEMBL28941163 0.82 F2RL3 (0.50) F2RL3MAPK14
SCHEMBL19783404 0.81 F2RL3 (0.74) F2RL3MAPT
SCHEMBL30189686 0.81 F2RL3 (0.74) F2RL3MAPT
SCHEMBL21379615 0.80 F2RL3 (0.70) F2RL3MAPT
SCHEMBL30189675 0.80 F2RL3 (0.70) F2RL3MAPT

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-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed