SCHEMBL5080905

SCHEMBL5080905

Nc1ncnn2c(C3CN4CCN(C(=O)O)CC4CO3)cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 1/20 0.34
▸ TYRO3 Q06418 11/20 0.34
▸ MERTK Q12866 8/20 0.34
▸ AXL P30530 4/20 0.34
▸ RIPK1 Q13546 1/20 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
SCHEMBL14312412 0.95 TYRO3 (0.39) TYRO3MERTKAXL
SCHEMBL14312797 0.94 ACVRL1 (0.35) ACVRL1TYRO3MERTKAXL
SCHEMBL14312700 0.94 TYRO3 (0.40) TYRO3MERTKAXL
SCHEMBL14531349 0.93 TYRO3 (0.36) TYRO3MERTKAXL
SCHEMBL14312882 0.92 TYRO3 (0.37) TYRO3MERTKAXL
SCHEMBL14313165 0.91 SRC (0.38) TYRO3MERTKAXLRIPK1
SCHEMBL14313229 0.91 ACVRL1 (0.36) ACVRL1TYRO3MERTKAXL
SCHEMBL14312752 0.90 INSR (0.39) ACVRL1TYRO3MERTKAXL
SCHEMBL14531707 0.89 TYRO3 (0.39) ACVRL1TYRO3MERTKAXL
SCHEMBL14313121 0.89 TYRO3 (0.42) 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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