SCHEMBL5821098

SCHEMBL5821098

CCNC(=O)c1cn(C(C)(C)C)c2nc(Nc3ccc(C)cc3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
PIK3CA P42336 1/20 0.41
MAPK14 Q16539 1/20 0.41
BRD4 O60885 1/20 0.38
RET P07949 5/20 0.38
SYK P43405 1/20 0.36
PTK2 Q05397 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
CNR1 P21554 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL3833011 0.92 MAPT (0.37) MAPK1PIK3CAMAPK14RETSYK
SCHEMBL5822946 0.89 SMN1; SMN2 (0.38) MAPK1PIK3CAMAPK14RETSYK
SCHEMBL5822970 0.87 MAPT (0.48) BRD4ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL3826198 0.87 CNR1 (0.39) MAPK14RETALDH1A1CNR1KDM4E
SCHEMBL5822553 0.87 PTK2 (0.38) MAPK1PIK3CAMAPK14RETSYK
SCHEMBL4391744 0.86 RAB9A (0.42) BRD4SMN1; SMN2MAPTKDM4ETSHR
SCHEMBL4793494 0.86 RET (0.36) MAPK1RETSYKALDH1A1HPGD
SCHEMBL3830189 0.86 MAPT (0.37) MAPK14RETSYKALDH1A1HPGD
SCHEMBL3833160 0.85 RET (0.38) RETSYKPTK2CNR1KDM4E
SCHEMBL3828088 0.84 MAPT (0.44) MAPK1PIK3CAMAPK14RETSYK

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