SCHEMBL14020484

SCHEMBL14020484

C=C(N)Cc1cnc(C#Cc2cc(C(=O)Nc3ccc(CN4CCC(N(C)C)CC4)c(C(F)(F)F)c3)ccc2C)cn1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 13/20 0.60
▸ KIT P10721 7/20 0.60

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
SCHEMBL13765907 0.95 ABL1 (0.61) ABL1KIT
SCHEMBL4097590 0.86 ABL1 (0.74) ABL1KIT
SCHEMBL22529501 0.83 ABL1 (0.69) ABL1KIT
SCHEMBL22549183 0.82 ABL1 (0.68) ABL1KIT
SCHEMBL13771968 0.81 ABL1 (0.55) ABL1KIT
SCHEMBL24626017 0.80 KIT (0.82) ABL1KIT
SCHEMBL29675112 0.80 KIT (0.82) ABL1KIT
SCHEMBL16769346 0.80 KIT (0.63) ABL1KIT
SCHEMBL15006468 0.79 KIT (0.70) ABL1KIT
SCHEMBL13765822 0.79 KIT (0.71) ABL1KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007133560-A9 ACETYLENIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2008-11-13 — — WO disclosed
WO-2007133560-A2 ACETYLENIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2007-11-22 — — WO disclosed
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