SCHEMBL27768106

SCHEMBL27768106

Nc1ccc(-c2cc(CN3CCN(C(=O)O)CC3)n3ncnc(N)c23)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 18/20 0.61
▸ MERTK Q12866 2/20 0.46
▸ AXL P30530 1/20 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
SCHEMBL59518 0.86 ACVRL1 (0.55) ACVRL1MERTK
SCHEMBL59418 0.83 ACVRL1 (0.82) ACVRL1MERTK
SCHEMBL14888176 0.82 ACVRL1 (0.46) ACVRL1MERTK
SCHEMBL5031587 0.81 ACVRL1 (0.47) ACVRL1MERTKAXL
SCHEMBL59483 0.79 ACVRL1 (0.76) ACVRL1MERTK
SCHEMBL56767 0.79 ACVRL1 (0.58) ACVRL1MERTK
SCHEMBL5132716 0.78 IKBKE (0.52) ACVRL1AXL
SCHEMBL59573 0.78 ACVRL1 (0.65) ACVRL1
SCHEMBL19377767 0.78 ACVRL1 (0.58) ACVRL1MERTKAXL
SCHEMBL15211727 0.77 FGFR1 (0.50) ACVRL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101466710-B Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC 2013-05-29 — — CN disclosed
CN-101466710-A Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2009-06-24 — — CN disclosed
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