SCHEMBL3833975

SCHEMBL3833975

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.37
NTRK1 P04629 1/20 0.35
ALK Q9UM73 1/20 0.35
SYK P43405 1/20 0.35
FTO Q9C0B1 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
HIF1AN Q9NWT6 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
DHFR P00374 2/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
BPTF Q12830 1/20 0.33
GRM5 P41594 1/20 0.33
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
RAF1 P04049 1/20 0.32
GFER P55789 1/20 0.32
NPC1 O15118 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
SCHEMBL3828088 0.88 MAPT (0.44) RETSYKDHFRCYP1A2CYP3A4
SCHEMBL3833978 0.85 RAB9A (0.43) NPC1RAB9ASMN1; SMN2
SCHEMBL5821098 0.83 MAPK1 (0.41) RETSYKDHFRMAPTMAPK1
SCHEMBL3833160 0.83 RET (0.38) RETSYKDHFRBPTFGRM5
SCHEMBL4794491 0.81 RET (0.36) RETSYKDHFRBPTFGRM5
SCHEMBL3833011 0.81 MAPT (0.37) RETNTRK1ALKSYKMAPT
SCHEMBL3827682 0.81 CCNE1 (0.42) RETMAPT
SCHEMBL5822553 0.80 PTK2 (0.38) RETSYKMAPK1SMN1; SMN2PIK3CA
SCHEMBL3831729 0.80 RET (0.40) RETSYKDHFRCYP1A2CYP3A4
SCHEMBL5822946 0.80 SMN1; SMN2 (0.38) RETSYKUSP2CYP1A2CYP2C19

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 5 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
EP-1919482-A1 PYRROLOPYRIDINE, PYRROLOPYRIMIDINE AND PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-05-14 EP disclosed
WO-2007024789-A1 PYRROLOPYRIDINE, PYRROLOPYRIMIDINE AND PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON GENETICS INCORPORATED (US) 2007-03-01 WO disclosed
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed