SCHEMBL12283372

SCHEMBL12283372

Bc1cc(C(=O)NCCCCO)c2c(N)ncnn12

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 12/20 0.53
▸ CSNK2A1 P68400 12/20 0.53
▸ RIPK1 Q13546 5/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ ACVRL1 P37023 2/20 0.39

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
SCHEMBL14654945 0.86 CSNK2A2 (0.53) CSNK2A2CSNK2A1RIPK1PIK3CDACVRL1
SCHEMBL14654922 0.82 CSNK2A2 (0.53) CSNK2A2CSNK2A1RIPK1PIK3CDACVRL1
SCHEMBL12283230 0.82 CSNK2A2 (0.67) CSNK2A2CSNK2A1RIPK1
SCHEMBL2558402 0.81 CSNK2A2 (0.80) CSNK2A2CSNK2A1RIPK1PIK3CD
SCHEMBL2546150 0.77 CSNK2A2 (0.81) CSNK2A2CSNK2A1RIPK1PIK3CD
SCHEMBL12283438 0.76 NTRK1 (0.38) CSNK2A2CSNK2A1PIK3CDACVRL1
SCHEMBL12284245 0.74 CSNK2A2 (0.68) CSNK2A2CSNK2A1ACVRL1
SCHEMBL14634923 0.72 CSNK2A2 (0.80) CSNK2A2CSNK2A1
SCHEMBL14634927 0.70 CSNK2A2 (0.83) CSNK2A2CSNK2A1
SCHEMBL14635504 0.69 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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