SCHEMBL14899085

SCHEMBL14899085

C[C@H](CN1CCCC1)[C@@H](C)Cc1cc(-c2ccc3cn(Cc4ccccc4)nc3c2)c2c(N)ncnn12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 11/20 0.40
▸ MERTK Q12866 1/20 0.36
▸ TNK2 Q07912 2/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ IGF1R P08069 2/20 0.34
▸ RET P07949 2/20 0.34
▸ KDR P35968 1/20 0.34
▸ MET P08581 1/20 0.34
▸ INSR P06213 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
SCHEMBL14899105 0.93 ACVRL1 (0.49) ACVRL1MERTKPIK3CD
SCHEMBL14899089 0.88 ACVRL1 (0.44) ACVRL1MERTKTNK2MET
SCHEMBL14312666 0.84 ACVRL1 (0.45) ACVRL1MERTKTNK2IGF1RMET
SCHEMBL14899086 0.84 ACVRL1 (0.37) ACVRL1MERTKTNK2RETKDR
SCHEMBL14312731 0.84 ACVRL1 (0.46) ACVRL1MERTKTNK2IGF1RMET
SCHEMBL14327041 0.83 ACVRL1 (0.49) ACVRL1MERTKTNK2PIK3CDIGF1R
SCHEMBL16508302 0.82 ACVRL1 (0.40) ACVRL1MERTKTNK2IGF1RKDR
SCHEMBL14312351 0.82 ACVRL1 (0.40) ACVRL1MERTKTNK2IGF1RKDR
SCHEMBL14899104 0.82 ACVRL1 (0.40) ACVRL1MERTK
SCHEMBL14313449 0.82 PIK3CD (0.43) ACVRL1TNK2PIK3CD

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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