SCHEMBL5849367

SCHEMBL5849367

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

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 19/20 0.74
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL5849255 0.91 P2RY12 (0.75) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5265542 0.90 P2RY12 (0.74) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5849412 0.90 P2RY12 (0.74) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL4722371 0.89 P2RY12 (0.72) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5849359 0.89 P2RY12 (0.72) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5850750 0.89 P2RY12 (0.69) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5849493 0.88 P2RY12 (0.71) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5849483 0.87 P2RY12 (0.70) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5848967 0.87 P2RY12 (0.70) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5850233 0.87 P2RY12 (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 US disclosed