SCHEMBL5333311

SCHEMBL5333311

CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(OCC3CCCO3)nc2s1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 17/20 0.65
MEN1 O00255 3/20 0.55
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.47
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL5264077 0.92 P2RY12 (0.67) P2RY12MEN1KMT2AALDH1A1
SCHEMBL5314349 0.89 P2RY12 (0.64) P2RY12MEN1KMT2AALDH1A1
SCHEMBL5263713 0.85 P2RY12 (0.70) P2RY12MEN1KMT2AALDH1A1
SCHEMBL5263923 0.85 P2RY12 (0.70) P2RY12MEN1KMT2AALDH1A1
SCHEMBL5267966 0.84 P2RY12 (0.68) P2RY12MEN1KMT2AALDH1A1
SCHEMBL5268366 0.84 P2RY12 (0.69) P2RY12MEN1KMT2AALDH1A1
SCHEMBL5315287 0.83 P2RY12 (0.67) P2RY12MEN1KMT2AALDH1A1
SCHEMBL5268594 0.82 P2RY12 (0.66) P2RY12MEN1KMT2AALDH1A1
SCHEMBL5267486 0.82 P2RY12 (0.67) P2RY12MEN1
SCHEMBL5268747 0.82 P2RY12 (0.63) P2RY12MEN1

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