SCHEMBL14709141

SCHEMBL14709141

CCCSc1nc(N)c2nnn([C@H]3C(O)C[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 16/20 0.46
▸ CYP2C9 P11712 1/20 0.43

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
SCHEMBL14709179 0.80 P2RY12 (0.58) P2RY12
SCHEMBL14709130 0.80 P2RY12 (0.58) P2RY12
SCHEMBL14709188 0.78 P2RY12 (0.40) P2RY12CYP2C9
SCHEMBL14709150 0.77 P2RY12 (0.55) P2RY12
SCHEMBL14709084 0.77 P2RY12 (0.55) P2RY12
SCHEMBL24080706 0.76 P2RY12 (0.50) P2RY12
SCHEMBL18560235 0.76 P2RY12 (0.48) P2RY12
SCHEMBL15859659 0.76 P2RY12 (0.43) P2RY12
SCHEMBL17679487 0.76 P2RY12 (0.43) P2RY12
SCHEMBL1509192 0.76 P2RY12 (0.43) P2RY12

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-2013023511-A1 TRIAZOLOPYRIMIDINE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF 上海恒瑞医药有限公司 (CN) 2013-02-21 — — WO disclosed
Send feedback