SCHEMBL14327088

SCHEMBL14327088

CCC(CCN(C)C(C)=O)CC(=O)c1cc(-c2ccc3cn(Cc4ccccc4)nc3c2)c2c(N)ncnn12

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 14/20 0.34
▸ ACVRL1 P37023 3/20 0.33
▸ TYRO3 Q06418 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ MERTK Q12866 1/20 0.31

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
SCHEMBL14327086 0.80 RIPK1 (0.36) RIPK1TYRO3
SCHEMBL14312813 0.79 ACVRL1 (0.43) RIPK1ACVRL1
SCHEMBL14327061 0.77 ACVRL1 (0.36) RIPK1ACVRL1
SCHEMBL14313204 0.76 TYRO3 (0.40) RIPK1TYRO3
SCHEMBL14313236 0.76 ACVRL1 (0.47) RIPK1ACVRL1MERTK
SCHEMBL14313008 0.75 TYRO3 (0.41) RIPK1TYRO3MERTK
SCHEMBL14327055 0.75 TYRO3 (0.39) RIPK1TYRO3MERTK
SCHEMBL14327087 0.74 TYRO3 (0.43) RIPK1ACVRL1TYRO3AXLMERTK
SCHEMBL5077843 0.74 ADORA3 (0.38) RIPK1ACVRL1
SCHEMBL14312579 0.74 ACVRL1 (0.45) RIPK1ACVRL1TYRO3

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 1 patent. 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
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