SCHEMBL14899105

SCHEMBL14899105

C[C@H](CN1CCOCC1)[C@@H](C)Cc1cc(-c2ccc3cn(Cc4ccccc4)nc3c2)c2c(N)ncnn12

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 9/20 0.49
▸ MERTK Q12866 1/20 0.44
▸ PIK3CD O00329 9/20 0.39
▸ LRRK2 Q5S007 1/20 0.34

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
SCHEMBL14899085 0.93 ACVRL1 (0.40) ACVRL1MERTKPIK3CD
SCHEMBL14313018 0.89 ACVRL1 (0.62) ACVRL1MERTKPIK3CD
SCHEMBL14899089 0.86 ACVRL1 (0.44) ACVRL1MERTK
SCHEMBL14313060 0.85 ACVRL1 (0.51) ACVRL1MERTKPIK3CD
SCHEMBL14312626 0.84 ACVRL1 (0.51) ACVRL1MERTKPIK3CD
SCHEMBL14313135 0.83 ACVRL1 (0.49) ACVRL1MERTKPIK3CD
SCHEMBL16508292 0.83 ACVRL1 (0.49) ACVRL1MERTKPIK3CD
SCHEMBL14312737 0.83 ACVRL1 (0.51) ACVRL1MERTKPIK3CD
SCHEMBL14899086 0.82 ACVRL1 (0.37) ACVRL1MERTK
SCHEMBL14327041 0.81 ACVRL1 (0.49) ACVRL1MERTKPIK3CD

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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