SCHEMBL5074877

SCHEMBL5074877

Nc1ncnn2c(C3CCCN(C(=O)O)C3)cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 4/20 0.43
▸ PDE2A O00408 4/20 0.41
▸ MERTK Q12866 5/20 0.40
▸ TNK2 Q07912 1/20 0.40
▸ TYRO3 Q06418 5/20 0.40
▸ AXL P30530 4/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ RIPK1 Q13546 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
SCHEMBL5081049 0.96 ACVRL1 (0.44) ACVRL1MERTKTYRO3AXL
SCHEMBL5153730 0.95 ACVRL1 (0.44) ACVRL1MERTKTYRO3AXL
SCHEMBL14313012 0.92 ACVRL1 (0.41) ACVRL1PDE2AMERTKTNK2TYRO3
SCHEMBL5077750 0.92 ACVRL1 (0.47) ACVRL1MERTKTYRO3AXL
SCHEMBL14327105 0.92 MERTK (0.41) ACVRL1PDE2AMERTKTNK2TYRO3
SCHEMBL14312938 0.92 ACVRL1 (0.40) ACVRL1PDE2AMERTKTNK2TYRO3
SCHEMBL14312940 0.92 ACVRL1 (0.40) ACVRL1PDE2AMERTKTNK2TYRO3
SCHEMBL14312883 0.91 TYRO3 (0.42) ACVRL1PDE2AMERTKTYRO3AXL
SCHEMBL14312740 0.91 ACVRL1 (0.43) ACVRL1PDE2AMERTKTYRO3
SCHEMBL14313235 0.91 TYRO3 (0.42) ACVRL1PDE2AMERTKTYRO3AXL

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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