SCHEMBL30189912

SCHEMBL30189912

COc1cnc2c(-c3nc4c(C)cc(OCC(=O)NCc5ccccc5)cc4s3)cc(C)cc2n1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 18/20 0.64
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 1/20 0.41

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
SCHEMBL19782503 1.00 F2RL3 (0.64) F2RL3L3MBTL1CYP3A4
SCHEMBL19782809 0.86 F2RL3 (0.64) F2RL3
SCHEMBL30189575 0.85 F2RL3 (0.63) F2RL3
SCHEMBL19782507 0.85 F2RL3 (0.63) F2RL3
SCHEMBL28941167 0.81 F2RL3 (0.60) F2RL3CYP3A4
SCHEMBL21379440 0.80 F2RL3 (0.67) F2RL3CYP3A4
SCHEMBL19783322 0.80 F2RL3 (0.67) F2RL3CYP3A4
SCHEMBL21379437 0.79 F2RL3 (0.66) F2RL3
SCHEMBL21395756 0.79 F2RL3 (0.80) F2RL3
SCHEMBL30187700 0.79 F2RL3 (0.80) F2RL3

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
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed