SCHEMBL12283438

SCHEMBL12283438

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.38
▸ CSNK2A2 P19784 12/20 0.37
▸ CSNK2A1 P68400 12/20 0.37
▸ FGFR1 P11362 1/20 0.35
▸ NTRK2 Q16620 1/20 0.35
▸ NAPRT Q6XQN6 1/20 0.34
▸ ACVRL1 P37023 1/20 0.34
▸ TNK2 Q07912 1/20 0.34
▸ PIK3CD O00329 2/20 0.33

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
SCHEMBL14651915 0.81 NTRK1 (0.38) NTRK1CSNK2A2CSNK2A1FGFR1NTRK2
SCHEMBL27315108 0.79 NTRK1 (0.57) NTRK1CSNK2A2CSNK2A1FGFR1NTRK2
SCHEMBL12283372 0.76 CSNK2A2 (0.53) CSNK2A2CSNK2A1ACVRL1PIK3CD
SCHEMBL12284245 0.75 CSNK2A2 (0.68) CSNK2A2CSNK2A1ACVRL1
SCHEMBL27315133 0.75 ACVRL1 (0.45) CSNK2A2CSNK2A1ACVRL1TNK2PIK3CD
SCHEMBL12283230 0.70 CSNK2A2 (0.67) CSNK2A2CSNK2A1
SCHEMBL19377773 0.70 PIK3CD (0.38) NTRK1CSNK2A2CSNK2A1FGFR1NTRK2
SCHEMBL30334336 0.70 CSNK2A2 (0.36) NTRK1CSNK2A2CSNK2A1NTRK2PIK3CD
SCHEMBL13625183 0.70 FGFR1 (0.42) NTRK1CSNK2A2CSNK2A1FGFR1NTRK2
SCHEMBL19279707 0.69 CSNK2A2 (0.39) NTRK1CSNK2A2CSNK2A1FGFR1PIK3CD

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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