SCHEMBL3833076

SCHEMBL3833076

Cc1ccc(Nc2ccc3c(C(=O)NCc4ncco4)cn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.37
P2RX3 P56373 1/20 0.37
MAPK1 P28482 3/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
SCD O00767 2/20 0.34
SYK P43405 1/20 0.33
KCNK3 O14649 2/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
PIK3CA P42336 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL3833079 0.89 POLB (0.39) MAPK1MAPTDPP4DPP8DPP9
SCHEMBL5821098 0.84 MAPK1 (0.41) RETMAPK1MAPTSYKHPGD
SCHEMBL5822970 0.83 MAPT (0.48) MAPTLMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL5822367 0.83 ADORA2A (0.42) RETMAPTHPGDSMN1; SMN2ADORA3
SCHEMBL3833011 0.82 MAPT (0.37) RETMAPK1MAPTLMNASYK
SCHEMBL5822946 0.81 SMN1; SMN2 (0.38) RETP2RX3MAPK1MAPTLMNA
SCHEMBL3826198 0.80 CNR1 (0.39) RETALDH1A1MAPK14
SCHEMBL4793494 0.79 RET (0.36) RETMAPK1MAPTSYKHPGD
SCHEMBL3833160 0.78 RET (0.38) RETP2RX3SYK
SCHEMBL5822553 0.78 PTK2 (0.38) RETP2RX3MAPK1SYKSMN1; SMN2

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