SCHEMBL31111805

SCHEMBL31111805

Nc1nccc(-c2ccc(N3C4CCC3CNC4)cn2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.39
MAPK13 O15264 2/20 0.39
CSNK1D P48730 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
RIPK2 O43353 1/20 0.39
DYRK3 O43781 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PRKCG P05129 1/20 0.39
LCK P06239 1/20 0.39
LYN P07948 1/20 0.39
RET P07949 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
MAPK1 P28482 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
MAPK9 P45984 1/20 0.39
CSNK1A1 P48729 1/20 0.39

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
SCHEMBL20037601 0.76 CHRNB2 (0.49) PIM1OPRM1CHRNB2CHRNA4
SCHEMBL31106268 0.75 HRH3 (0.56) PIM1HRH3CDK1CDK2CHRNB2
SCHEMBL31112078 0.72 MAPK14 (0.47) MAPK14MAPK13CSNK1DMAPK12MAPK11
SCHEMBL20038082 0.70 OPRM1 (0.44) OPRM1CHRNB2CHRNA7CHRNA4
SCHEMBL31106279 0.69 HRH3 (0.46) MAPK14MAPK13CSNK1DMAPK12MAPK11
SCHEMBL28676973 0.69 HRH3 (0.46) MAPK14MAPK13CSNK1DMAPK12MAPK11
SCHEMBL29515034 0.69 CHEK1 (0.43) HRH3CDK2
SCHEMBL23215232 0.67 HTR2A (0.42) OPRM1CHRNB2CHRNA4
SCHEMBL20249258 0.67 OPRM1 (0.41) RETOPRM1CHRNB2CHRNA4
SCHEMBL18291649 0.67 OPRM1 (0.41) RETHRH3OPRM1

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-2024227104-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BRAF VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2024-10-31 WO disclosed