SCHEMBL12284245

SCHEMBL12284245

Bc1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c2c(N)ncnn12

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 19/20 0.68
▸ CSNK2A1 P68400 19/20 0.68
▸ BMPR1B O00238 1/20 0.44
▸ BMPR1A P36894 1/20 0.44
▸ TGFBR1 P36897 1/20 0.44
▸ ACVRL1 P37023 1/20 0.44
▸ ACVR1 Q04771 1/20 0.44

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
SCHEMBL14635298 0.86 CSNK2A2 (0.68) CSNK2A2CSNK2A1BMPR1BBMPR1ATGFBR1
SCHEMBL14635296 0.86 CSNK2A2 (0.68) CSNK2A2CSNK2A1BMPR1BBMPR1ATGFBR1
SCHEMBL14635449 0.81 CSNK2A2 (1.00) CSNK2A2CSNK2A1
SCHEMBL14634717 0.81 CSNK2A2 (1.00) CSNK2A2CSNK2A1
SCHEMBL14634716 0.81 CSNK2A2 (1.00) CSNK2A2CSNK2A1
SCHEMBL14634973 0.78 CSNK2A2 (0.93) CSNK2A2CSNK2A1
SCHEMBL14635247 0.78 CSNK2A2 (1.00) CSNK2A2CSNK2A1
SCHEMBL14634971 0.78 CSNK2A2 (0.93) CSNK2A2CSNK2A1
SCHEMBL12284249 0.78 CSNK2A2 (1.00) CSNK2A2CSNK2A1
SCHEMBL14634987 0.78 CSNK2A2 (1.00) CSNK2A2CSNK2A1

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-2011123493-A1 SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-06 — — WO disclosed
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