SCHEMBL5266455

SCHEMBL5266455

CCc1cc2c(N3CCN(C(=O)O)C[C@H]3C)nc(Cl)nc2s1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 16/20 0.43
MEN1 O00255 2/20 0.42
HTR6 P50406 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TMIGD3 P0DMS9 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SMO Q99835 1/20 0.38

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
SCHEMBL5270542 1.00 P2RY12 (0.43) P2RY12MEN1HTR6KDM4ETMIGD3
SCHEMBL5264908 0.86 P2RY12 (0.60) P2RY12MEN1SMO
SCHEMBL5264604 0.86 P2RY12 (0.60) P2RY12MEN1SMO
SCHEMBL5849347 0.83 MEN1 (0.58) P2RY12MEN1KDM4ESMN1; SMN2
SCHEMBL7062060 0.83 MEN1 (0.58) P2RY12MEN1KDM4ESMN1; SMN2
SCHEMBL5848809 0.83 MEN1 (0.58) P2RY12MEN1KDM4ESMN1; SMN2
SCHEMBL4723847 0.83 HTR6 (0.54) P2RY12MEN1HTR6
SCHEMBL5851706 0.81 HTR6 (0.43) P2RY12MEN1HTR6KDM4ESMN1; SMN2
SCHEMBL5265605 0.77 HTR6 (0.41) P2RY12MEN1HTR6KDM4ETMIGD3
Hydrochloric Acid SCHEMBL5265225 0.76 HTR6 (0.41) P2RY12MEN1HTR6KDM4ETMIGD3

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
EP-1844052-A1 THIENO[2,3-D]PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION Pharmacia & Upjohn Company LLC (US) 2007-10-17 EP disclosed
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 WO disclosed