SCHEMBL5822296

SCHEMBL5822296

Cc1ccc(Nc2ccc3c(C(=O)NC4CC4)nn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 8/20 0.42
CDK2 P24941 8/20 0.42
ELANE P08246 1/20 0.39
TYK2 P29597 2/20 0.38
PDE4D Q08499 2/20 0.38
KAT2B Q92831 1/20 0.37
PDE4B Q07343 1/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BTK Q06187 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4394567 0.87 RAB9A (0.42) CCNE1CDK2ELANEKAT2BLMNA
SCHEMBL5818277 0.83 KDM4E (0.38) CCNE1CDK2CYP1A2CYP3A4CYP2D6
SCHEMBL4793477 0.82 HTR3A (0.42) CCNE1CDK2ELANETYK2PDE4D
SCHEMBL4794383 0.81 CCNE1 (0.41) CCNE1CDK2ELANETYK2PDE4D
SCHEMBL5820285 0.81 ALDH1A1 (0.36) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4793989 0.81 FPR1 (0.36) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4792082 0.81 CCNE1 (0.40) CCNE1CDK2ELANETYK2PDE4D
SCHEMBL4794506 0.80 CCNE1 (0.40) CCNE1CDK2ELANETYK2PDE4D
SCHEMBL3827682 0.80 CCNE1 (0.42) CCNE1CDK2TYK2PDE4DPDE4B
SCHEMBL4397397 0.79 ELANE (0.43) ELANEKAT2BLMNAMEN1ALDH1A1

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-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed