SCHEMBL14824809

SCHEMBL14824809

CCn1c(=O)c(-c2ccc(/C(=N/N)NN)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 5/20 0.74
PKN1 Q16512 4/20 0.74
PAK4 O96013 3/20 0.74
PAK3 O75914 3/20 0.66
PAK2 Q13177 3/20 0.66
WEE1 P30291 2/20 0.66
CDK4 P11802 4/20 0.54
CCND1 P24385 4/20 0.54
CCND2 P30279 4/20 0.54
CCND3 P30281 4/20 0.54
FGFR1 P11362 4/20 0.53
SRC P12931 3/20 0.53
FGFR4 P22455 2/20 0.53
FGFR2 P21802 1/20 0.53
FGFR3 P22607 1/20 0.53
LIMK1 P53667 1/20 0.50
LIMK2 P53671 1/20 0.50
EGFR P00533 2/20 0.47
TNK2 Q07912 2/20 0.46
PDGFRB P09619 2/20 0.46

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
SCHEMBL1680912 0.91 PAK1 (0.79) PAK1PKN1PAK4PAK3PAK2
SCHEMBL14811122 0.89 PAK1 (0.78) PAK1PKN1PAK4PAK3PAK2
SCHEMBL15787998 0.88 PAK1 (0.79) PAK1PKN1PAK4PAK3PAK2
SCHEMBL1680836 0.87 PAK1 (0.79) PAK1PKN1PAK4PAK3PAK2
SCHEMBL14811121 0.86 PAK1 (0.78) PAK1PKN1PAK4PAK3PAK2
SCHEMBL1680969 0.84 PAK1 (0.85) PAK1PKN1PAK4PAK3PAK2
SCHEMBL15030437 0.84 PAK1 (0.73) PAK1PKN1PAK4PAK3PAK2
SCHEMBL9987954 0.84 PAK1 (0.81) PAK1PKN1PAK4PAK3PAK2
SCHEMBL14824735 0.83 PAK1 (0.66) PAK1PKN1PAK4PAK3PAK2
SCHEMBL13554095 0.83 PAK1 (0.80) PAK1PKN1PAK4PAK3PAK2

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
WO-2013043232-A2 8-ETHYL-6-(ARYL)PYRIDO [2,3-D]PYRIMIDIN-7(8H) -ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS, INC. (US) 2013-03-28 WO disclosed