SCHEMBL5076579

SCHEMBL5076579

CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc4nn(Cc5ccccc5)cc4c3)c3c(N)ncnn23)CC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 7/20 0.47
▸ AXL P30530 4/20 0.47
▸ TYRO3 Q06418 13/20 0.44
▸ ACVRL1 P37023 1/20 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
SCHEMBL5140759 0.94 MERTK (0.47) MERTKAXLTYRO3ACVRL1
SCHEMBL14312964 0.92 MERTK (0.45) MERTKAXLTYRO3ACVRL1
SCHEMBL5077710 0.90 MERTK (0.43) MERTKAXLTYRO3ACVRL1
SCHEMBL14888188 0.90 ACVRL1 (0.47) MERTKAXLTYRO3ACVRL1
SCHEMBL14312630 0.89 TYRO3 (0.47) MERTKAXLTYRO3ACVRL1
SCHEMBL5141187 0.88 TYRO3 (0.47) MERTKAXLTYRO3ACVRL1
SCHEMBL5077778 0.87 MERTK (0.46) MERTKAXLTYRO3ACVRL1
SCHEMBL5074946 0.87 MERTK (0.40) MERTKAXLTYRO3ACVRL1
SCHEMBL5077162 0.87 ACVRL1 (0.46) MERTKAXLTYRO3ACVRL1
SCHEMBL5142860 0.87 MERTK (0.42) MERTKAXLTYRO3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945222-B1 PYRROLO[2,1-F] [1,2,4]-TRIAZIN-4-YLAMINES AS IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES Bayer Pharma AG (DE) 2012-12-26 — — EP disclosed
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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