SCHEMBL5822367

SCHEMBL5822367

Cc1ccc(Nc2ccc3c(C(=O)NCc4ncccc4C)cn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.42
ADORA1 P30542 12/20 0.42
RET P07949 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2B P29275 1/20 0.39
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
AHR P35869 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4393053 0.89 ADORA2A (0.42) ADORA2AADORA1ADORA3ADORA2BHPGD
SCHEMBL5822970 0.84 MAPT (0.48) ADORA2AADORA1HPGDMAPTSMN1; SMN2
SCHEMBL3833076 0.83 RET (0.37) ADORA2AADORA1RETADORA3HPGD
SCHEMBL5821098 0.83 MAPK1 (0.41) ADORA1RETADORA3HPGDMAPT
SCHEMBL3833011 0.81 MAPT (0.37) RETNPC1MAPTRAB9A
SCHEMBL5822946 0.81 SMN1; SMN2 (0.38) ADORA2AADORA1RETHPGDMAPT
SCHEMBL4793494 0.80 RET (0.36) RETHPGDMAPTSMN1; SMN2
SCHEMBL3826198 0.79 CNR1 (0.39) RET
SCHEMBL3833160 0.77 RET (0.38) RET
SCHEMBL5822553 0.77 PTK2 (0.38) RETSMN1; 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 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