SCHEMBL5081049

SCHEMBL5081049

Nc1ncnn2c(C3CCN(C(=O)O)C3)cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 2/20 0.44
▸ TYRO3 Q06418 12/20 0.43
▸ MERTK Q12866 7/20 0.42
▸ AXL P30530 5/20 0.42

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
SCHEMBL5074877 0.96 ACVRL1 (0.43) ACVRL1TYRO3MERTKAXL
SCHEMBL5077750 0.95 ACVRL1 (0.47) ACVRL1TYRO3MERTKAXL
SCHEMBL14312988 0.94 TYRO3 (0.48) ACVRL1TYRO3MERTKAXL
SCHEMBL5153730 0.94 ACVRL1 (0.44) ACVRL1TYRO3MERTKAXL
SCHEMBL5080203 0.93 ACVRL1 (0.42) ACVRL1TYRO3MERTKAXL
SCHEMBL14313354 0.93 ACVRL1 (0.44) ACVRL1TYRO3MERTKAXL
SCHEMBL14313195 0.93 MERTK (0.47) ACVRL1TYRO3MERTKAXL
SCHEMBL14312385 0.93 TYRO3 (0.49) TYRO3MERTKAXL
SCHEMBL14531768 0.91 TYRO3 (0.42) ACVRL1TYRO3MERTKAXL
SCHEMBL14898479 0.91 TYRO3 (0.44) ACVRL1TYRO3MERTKAXL

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
EP-1945222-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES Bayer HealthCare AG (DE) 2008-07-23 — — EP disclosed
WO-2007056170-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2007-05-18 — — WO disclosed
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