SCHEMBL14824762

SCHEMBL14824762

CCn1c(=O)c(-c2ccc(-c3ccc(C(=O)NC)nc3)cc2O)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 4/20 0.65
▸ PKN1 Q16512 3/20 0.65
▸ PAK4 O96013 2/20 0.65
▸ PAK3 O75914 2/20 0.62
▸ PAK2 Q13177 2/20 0.62
▸ WEE1 P30291 1/20 0.62
▸ CDK4 P11802 6/20 0.56
▸ CCND1 P24385 6/20 0.56
▸ CCND2 P30279 6/20 0.56
▸ CCND3 P30281 6/20 0.56
▸ FGFR1 P11362 3/20 0.49
▸ FGFR2 P21802 2/20 0.49
▸ FGFR4 P22455 2/20 0.49
▸ FGFR3 P22607 2/20 0.49
▸ SRC P12931 1/20 0.49
▸ CSF1R P07333 2/20 0.47
▸ CCNB2 O95067 1/20 0.44
▸ CCNE2 O96020 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ CCNB1 P14635 1/20 0.44

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
SCHEMBL15030332 0.94 PAK1 (0.73) PAK1PKN1PAK4PAK3PAK2
SCHEMBL15030435 0.87 PAK1 (0.72) PAK1PKN1PAK4PAK3PAK2
SCHEMBL14824679 0.86 PAK1 (0.62) PAK1PKN1PAK4PAK3PAK2
SCHEMBL15030449 0.83 PKN1 (0.70) PAK1PKN1PAK4PAK3PAK2
SCHEMBL15030453 0.82 PAK1 (0.79) PAK1PKN1PAK4PAK3PAK2
SCHEMBL13553581 0.82 PAK1 (0.72) PAK1PKN1PAK4PAK3PAK2
SCHEMBL13554057 0.81 PAK1 (0.76) PAK1PKN1PAK4PAK3PAK2
SCHEMBL13553595 0.81 PAK1 (0.81) PAK1PKN1PAK4PAK3PAK2
SCHEMBL13553596 0.80 PAK1 (0.78) PAK1PKN1PAK4PAK3PAK2
SCHEMBL12807725 0.80 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
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