SCHEMBL3827682

SCHEMBL3827682

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.42
CDK2 P24941 5/20 0.42
TYK2 P29597 1/20 0.42
PDE4D Q08499 1/20 0.42
RXFP1 Q9HBX9 3/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 2/20 0.38
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PDE4B Q07343 1/20 0.37
RET P07949 1/20 0.36

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
SCHEMBL3831726 0.96 RXFP1 (0.42) CCNE1CDK2TYK2PDE4DRXFP1
SCHEMBL3833812 0.93 TAF1 (0.44) CCNE1CDK2POLBALOX15ALDH1A1
SCHEMBL3832654 0.93 P2RX3 (0.41) CCNE1CDK2TYK2PDE4DRXFP1
SCHEMBL3827686 0.87 RAB9A (0.42) CCNE1CDK2MAPTTP53POLB
SCHEMBL3826198 0.85 CNR1 (0.39) ALDH1A1RET
SCHEMBL3833011 0.84 MAPT (0.37) RXFP1MAPTTP53ALDH1A1RET
SCHEMBL5821098 0.83 MAPK1 (0.41) RXFP1MAPTALDH1A1RET
SCHEMBL3833160 0.83 RET (0.38) CCNE1CDK2RET
SCHEMBL3831731 0.83 NPC1 (0.46) MAPTPOLBALDH1A1
SCHEMBL4794491 0.82 RET (0.36) RXFP1MAPTALDH1A1RET

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089018-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA Lexicon Pharmaceuticals, Inc. (US) 2009-08-19 EP disclosed
WO-2008067121-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA LEXICON PHARMACEUTICALS, INC. (US) 2008-06-05 WO disclosed
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed