SCHEMBL30189913

SCHEMBL30189913

COc1cnc2c(-c3nc4c(Cl)cc(OCCNS(=O)(=O)c5ccc(F)cc5)cc4s3)cc(C)cc2n1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 12/20 0.75
CYP3A4 P08684 1/20 0.42

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
SCHEMBL19782859 1.00 F2RL3 (0.75) F2RL3CYP3A4
SCHEMBL19783071 0.93 F2RL3 (0.85) F2RL3
SCHEMBL30187853 0.93 F2RL3 (0.85) F2RL3
SCHEMBL19782834 0.93 F2RL3 (0.87) F2RL3
SCHEMBL30189631 0.93 F2RL3 (0.87) F2RL3
SCHEMBL19783276 0.91 F2RL3 (0.75) F2RL3
SCHEMBL30189640 0.91 F2RL3 (0.75) F2RL3
SCHEMBL30187526 0.90 F2RL3 (0.73) F2RL3
SCHEMBL19783335 0.90 F2RL3 (0.73) F2RL3
SCHEMBL21395724 0.89 F2RL3 (0.73) F2RL3CYP3A4

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