SCHEMBL14899086

SCHEMBL14899086

C[C@H](COS(C)(=O)=O)[C@@H](C)Cc1cc(-c2ccc3cn(Cc4ccccc4)nc3c2)c2c(N)ncnn12

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 8/20 0.37
▸ RIPK1 Q13546 7/20 0.34
▸ MERTK Q12866 2/20 0.34
▸ AXL P30530 1/20 0.33
▸ MET P08581 1/20 0.32
▸ RET P07949 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ TNK2 Q07912 1/20 0.32

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
SCHEMBL14899089 0.88 ACVRL1 (0.44) ACVRL1RIPK1MERTKAXLMET
SCHEMBL14899104 0.84 ACVRL1 (0.40) ACVRL1RIPK1MERTKAXL
SCHEMBL14899085 0.84 ACVRL1 (0.40) ACVRL1MERTKMETRETKDR
SCHEMBL5077195 0.84 CA2 (0.36) ACVRL1RIPK1METTNK2
SCHEMBL16508304 0.84 CA2 (0.36) ACVRL1RIPK1METTNK2
SCHEMBL14899105 0.82 ACVRL1 (0.49) ACVRL1MERTK
SCHEMBL14327104 0.81 ACVRL1 (0.41) ACVRL1RIPK1MERTKAXL
SCHEMBL14312981 0.80 ACVRL1 (0.37) ACVRL1MERTKAXLMETTNK2
SCHEMBL5074881 0.79 ACVRL1 (0.46) ACVRL1RIPK1METTNK2
SCHEMBL14312898 0.79 ACVRL1 (0.52) ACVRL1RIPK1MERTKAXLMET

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
US-8431695-B2 Pyrrolo[2,1-f][1,2,4]triazin-4-ylamines IGF-1R kinase inhibitors for the treatment of cancer and other hyperproliferative diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-30 — — US disclosed
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