SCHEMBL18239659

SCHEMBL18239659

Cc1c2n(c3ccccc13)C[C@H](O)C(O)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
JAK3 P52333 3/20 0.43
KDM4E B2RXH2 3/20 0.40
RECQL P46063 1/20 0.40
STAT5A P42229 1/20 0.39
ZAP70 P43403 1/20 0.39
SYK P43405 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
MAPT P10636 1/20 0.38
PTGDR Q13258 3/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRNA7 P36544 2/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MTNR1A P48039 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
SCHEMBL23944980 0.80 JAK3 (0.41) HTR2AHTR2CJAK3KDM4ESTAT5A
SCHEMBL18239660 0.76 HTR2A (0.50) HTR2AHTR2CJAK3KDM4ERECQL
SCHEMBL18202155 0.71 HTR2A (0.51) HTR2AHTR2CKDM4ERECQLSIGMAR1
SCHEMBL21028284 0.69 HTR2A (0.46) HTR2AHTR2CSIGMAR1PTGDRPTGDR2
SCHEMBL18239591 0.69 JAK3 (0.37) JAK3STAT5AZAP70SYKPTGDR2
SCHEMBL24141360 0.66 PTGDR2 (0.45) HTR2AHTR2CSIGMAR1PTGDRPTGDR2
SCHEMBL1104626 0.66 HTR2A (0.66) HTR2AHTR2CKDM4ERECQLSIGMAR1
SCHEMBL30749787 0.66 HTR2A (0.66) HTR2AHTR2CKDM4ERECQLSIGMAR1
SCHEMBL10676528 0.66 KDM4E (0.44) HTR2AHTR2CJAK3KDM4ERECQL
SCHEMBL14571488 0.65 PRKCB (0.54) HTR2AHTR2CRECQLSIGMAR1CHRM2

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-2016183278-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. (US) 2016-11-17 WO disclosed