SCHEMBL14693283

SCHEMBL14693283

CCn1c(=O)c(-c2ccc(-c3ncccn3)cc2CI)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.48
PKN1 Q16512 2/20 0.48
PAK3 O75914 1/20 0.44
LIMK1 P53667 1/20 0.44
LIMK2 P53671 1/20 0.44
PAK1 Q13153 1/20 0.44
PAK2 Q13177 1/20 0.44
EGFR P00533 1/20 0.43
FGFR1 P11362 1/20 0.43

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
SCHEMBL13554116 0.90 PKN1 (0.60) PAK4PKN1PAK3LIMK1LIMK2
SCHEMBL13554111 0.83 PKN1 (0.54) PAK4PKN1PAK3LIMK1LIMK2
SCHEMBL13554112 0.82 PKN1 (0.55) PAK4PKN1PAK3LIMK1LIMK2
SCHEMBL13553547 0.81 PAK4 (0.52) PAK4PKN1PAK1PAK2
SCHEMBL13554002 0.81 PKN1 (0.54) PAK4PKN1PAK3LIMK1LIMK2
SCHEMBL12807689 0.81 PKN1 (0.56) PAK4PKN1PAK3LIMK1LIMK2
SCHEMBL14684869 0.80 PAK1 (0.66) PAK4PKN1PAK3PAK1PAK2
SCHEMBL13553548 0.80 PKN1 (0.59) PAK4PKN1PAK3LIMK1LIMK2
SCHEMBL13553545 0.80 PAK4 (0.50) PAK4PKN1PAK3LIMK1LIMK2
SCHEMBL14681963 0.80 PAK1 (0.57) PAK4PKN1PAK3LIMK1LIMK2

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-8372970-B2 8-ethyl-6-(aryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS, INC. (US) 2013-02-12 US disclosed