SCHEMBL8219606

SCHEMBL8219606

Cc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.52
CDK14 O94921 8/20 0.47
CCNY Q8ND76 8/20 0.47
TRPM4 Q8TD43 1/20 0.45
ABL1 P00519 1/20 0.44
SRC P12931 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ITGB1 P05556 2/20 0.42
ITGA4 P13612 2/20 0.42
ITGA2 P17301 1/20 0.42
ITGB7 P26010 1/20 0.42
PTGES O14684 1/20 0.41
POLB P06746 1/20 0.41
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL954955 0.91 KMT2A (0.51) TYK2CDK14CCNYKMT2AMEN1
SCHEMBL4488401 0.86 CDK14 (0.48) TYK2CDK14CCNYKMT2AMEN1
SCHEMBL5007605 0.85 CDK14 (0.46) CDK14CCNYKMT2AMEN1POLB
SCHEMBL1645592 0.85 JAK2 (0.52) TYK2CDK14CCNYKMT2AMEN1
SCHEMBL8261339 0.84 TAS1R3 (0.48) KMT2AMEN1POLB
SCHEMBL8261342 0.83 CDK14 (0.46) TYK2CDK14CCNYKMT2AMEN1
SCHEMBL12288164 0.82 CDK14 (0.53) TYK2CDK14CCNYKMT2AMEN1
SCHEMBL5006782 0.82 TTR (0.47) TYK2CDK14CCNYKMT2AMEN1
SCHEMBL8261343 0.82 CDK14 (0.52) TYK2CDK14CCNYKMT2AMEN1
SCHEMBL8044614 0.81 CDK5 (0.60) TYK2CDK14CCNYKMT2AMEN1

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-2008009954-A1 MEDICAL USE OF CYCLIN DEPENDENT KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-24 WO disclosed