SCHEMBL16309170

SCHEMBL16309170

CCn1c(=O)c(-c2ccc([S@+](C)[O-])cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 6/20 0.80
PKN1 Q16512 4/20 0.80
PAK4 O96013 3/20 0.80
WEE1 P30291 1/20 0.71
PAK2 Q13177 4/20 0.70
PAK3 O75914 3/20 0.70
CDK4 P11802 3/20 0.58
CCND1 P24385 3/20 0.58
CCND2 P30279 3/20 0.58
CCND3 P30281 3/20 0.58
FGFR1 P11362 4/20 0.57
SRC P12931 2/20 0.57
FGFR2 P21802 1/20 0.57
FGFR4 P22455 1/20 0.57
FGFR3 P22607 1/20 0.57
LIMK1 P53667 1/20 0.55
LIMK2 P53671 1/20 0.55
EGFR P00533 2/20 0.51
TNK2 Q07912 4/20 0.51
PDGFRB P09619 1/20 0.48

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
SCHEMBL15035989 1.00 PAK1 (0.80) PAK1PKN1PAK4WEE1PAK2
SCHEMBL15281586 0.94 PAK1 (0.72) PAK1PKN1PAK4WEE1PAK2
SCHEMBL15035966 0.92 PAK1 (0.67) PAK1PKN1PAK4WEE1PAK2
SCHEMBL16309172 0.92 PAK1 (0.67) PAK1PKN1PAK4WEE1PAK2
SCHEMBL15035988 0.91 PAK1 (0.75) PAK1PKN1PAK4WEE1PAK2
SCHEMBL15035990 0.91 PAK1 (0.66) PAK1PKN1PAK4WEE1PAK2
SCHEMBL15035985 0.90 PAK1 (0.74) PAK1PKN1PAK4WEE1PAK2
SCHEMBL15281631 0.89 PAK1 (0.68) PAK1PKN1PAK4WEE1PAK2
SCHEMBL15030376 0.89 WEE1 (0.68) PAK1PKN1PAK4WEE1PAK2
SCHEMBL15035978 0.89 PAK1 (0.63) PAK1PKN1PAK4WEE1PAK2

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
US-8912203-B2 6-(sulfonylaryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-12-16 US disclosed
US-8912203-B2 6-(sulfonylaryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-12-16 US disclosed