SCHEMBL4722146

SCHEMBL4722146

CCc1cc2c(N3CCN(C(=O)Cc4ccccc4)CC3)nc(N3CCCCC3)nc2s1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 17/20 0.69
GBA1 P04062 1/20 0.56
MEN1 O00255 3/20 0.52
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL4721127 0.93 P2RY12 (0.69) P2RY12GBA1MEN1ALDH1A1KMT2A
SCHEMBL4721910 0.92 P2RY12 (0.68) P2RY12GBA1MEN1ALDH1A1KMT2A
SCHEMBL4721655 0.88 P2RY12 (0.63) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5849255 0.88 P2RY12 (0.75) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5849367 0.87 P2RY12 (0.74) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5265542 0.87 P2RY12 (0.74) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5849412 0.87 P2RY12 (0.74) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL4722371 0.86 P2RY12 (0.72) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5849359 0.86 P2RY12 (0.72) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5849493 0.85 P2RY12 (0.71) P2RY12MEN1ALDH1A1KMT2A

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-1896483-A2 4-PIPERAZINYLTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-03-12 EP disclosed
WO-2006103544-A2 4-PIPERAZINYLTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed