SCHEMBL14537222

SCHEMBL14537222

CNC(=O)Nc1cncc(C(=O)c2cc(C(C)C)n3ncnc(N)c23)c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 15/20 0.67
▸ NTRK2 Q16620 6/20 0.62
▸ RET P07949 2/20 0.44
▸ KDR P35968 2/20 0.44
▸ KCNH2 Q12809 2/20 0.40
▸ NTRK3 Q16288 1/20 0.40
▸ ACVRL1 P37023 1/20 0.38

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
SCHEMBL1925611 0.89 NTRK1 (0.71) NTRK1NTRK2RETKDR
SCHEMBL1924948 0.89 NTRK1 (0.69) NTRK1NTRK2RETKDRKCNH2
SCHEMBL3980576 0.89 NTRK1 (0.69) NTRK1NTRK2RETKDR
SCHEMBL1924266 0.88 NTRK1 (0.67) NTRK1NTRK2RETKDRKCNH2
SCHEMBL1924685 0.88 NTRK1 (0.62) NTRK1NTRK2RETKDRKCNH2
SCHEMBL1925029 0.87 NTRK1 (0.66) NTRK1NTRK2KCNH2
SCHEMBL1924896 0.86 NTRK2 (0.69) NTRK1NTRK2RETKDRKCNH2
SCHEMBL1924225 0.86 NTRK1 (0.67) NTRK1NTRK2KCNH2NTRK3ACVRL1
SCHEMBL1925123 0.85 NTRK2 (0.81) NTRK1NTRK2RETKDRKCNH2
SCHEMBL1924558 0.85 NTRK1 (0.61) NTRK1NTRK2RETKDRNTRK3

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-2007061882-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — WO disclosed
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