SCHEMBL30187698

SCHEMBL30187698

COc1cc(C(O)C(C)(C)C)c2nc(-c3cc(Cl)cc4nc(OC)cnc34)sc2c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 18/20 0.51
CYP3A4 P08684 1/20 0.35

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
SCHEMBL19783379 1.00 F2RL3 (0.51) F2RL3CYP3A4
SCHEMBL30187673 0.90 F2RL3 (0.62) F2RL3
SCHEMBL19783604 0.90 F2RL3 (0.62) F2RL3
SCHEMBL21396112 0.88 F2RL3 (0.41) F2RL3
SCHEMBL19783631 0.86 F2RL3 (0.47) F2RL3
SCHEMBL30187728 0.86 F2RL3 (0.47) F2RL3
SCHEMBL19783821 0.84 F2RL3 (0.59) F2RL3
SCHEMBL19783599 0.84 F2RL3 (0.54) F2RL3
SCHEMBL30187602 0.84 F2RL3 (0.54) F2RL3
SCHEMBL19783206 0.83 F2RL3 (0.65) 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 2 patents. 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 claimed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed