SCHEMBL13309212

SCHEMBL13309212

O=[SH](=O)c1ccc(Nc2cc(NC3CCCCC3)nc3c(Br)cnn23)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 18/20 0.58
▸ GSK3B P49841 11/20 0.58
▸ MAPKAPK2 P49137 3/20 0.55
▸ CSNK2B P67870 1/20 0.47
▸ CHEK1 O14757 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ FLT3 P36888 1/20 0.41

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
SCHEMBL13885152 0.85 CDK2 (0.67) CDK2GSK3BMAPKAPK2CHEK1CCNE1
SCHEMBL13885674 0.85 CDK2 (0.66) CDK2GSK3BMAPKAPK2CSNK2BCHEK1
SCHEMBL14528910 0.84 CDK2 (0.47) CDK2GSK3BMAPKAPK2CSNK2B
SCHEMBL13998536 0.81 GSK3B (0.54) CDK2GSK3BMAPKAPK2CSNK2B
SCHEMBL13998623 0.80 GSK3B (0.55) CDK2GSK3BMAPKAPK2CSNK2B
SCHEMBL14427517 0.76 CDK2 (0.70) CDK2GSK3BMAPKAPK2CHEK1CCNE1
SCHEMBL14427515 0.75 CDK2 (0.82) CDK2GSK3BMAPKAPK2CHEK1CCNE1
SCHEMBL14427533 0.75 CDK2 (0.65) CDK2GSK3BMAPKAPK2CCNE1FLT3
SCHEMBL14427535 0.75 CDK2 (0.78) CDK2GSK3BMAPKAPK2CHEK1CCNE1
SCHEMBL14528908 0.74 GSK3B (0.59) CDK2GSK3BCHEK1CCNE1

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
EP-1934224-B1 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORP (US) 2010-06-09 — — EP disclosed
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