SCHEMBL7825912

SCHEMBL7825912

O=C1NC(=O)C(c2cn(Br)c3ccccc23)=C1c1cn(Br)c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.66
CCNE2 O96020 1/20 0.66
CDK4 P11802 1/20 0.66
CCND1 P24385 1/20 0.66
CCNE1 P24864 1/20 0.66
GSK3B P49841 8/20 0.56
PRKCG P05129 5/20 0.56
PRKCB P05771 3/20 0.56
PRKCA P17252 3/20 0.56
PRKCE Q02156 1/20 0.56
PRKCD Q05655 1/20 0.56
CDK1 P06493 1/20 0.55
PRKCQ Q04759 1/20 0.55

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
SCHEMBL30319849 0.79 CCNE2 (1.00) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL5686048 0.79 CCNE2 (1.00) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL22765422 0.74 PRKCB (0.74) CDK2GSK3BPRKCGPRKCBPRKCA
SCHEMBL30336889 0.74 PRKCB (0.74) CDK2GSK3BPRKCGPRKCBPRKCA
SCHEMBL30336971 0.74 PRKCB (0.74) CDK2GSK3BPRKCGPRKCBPRKCA
SCHEMBL12629162 0.74 PRKCB (0.74) CDK2GSK3BPRKCGPRKCBPRKCA
SCHEMBL29800011 0.74 PRKCB (0.74) CDK2GSK3BPRKCGPRKCBPRKCA
SCHEMBL7873226 0.74 CAMK2D (0.67) CDK2CDK4CCND1PRKCA
SCHEMBL8162775 0.73 PRKACA (0.63) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL14522482 0.73 GSK3B (0.69) CDK2CCNE2CDK4CCND1CCNE1

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-0397060-B1 Maleinimide derivatives and their use as medicines GOEDECKE AG (DE) 2001-11-21 EP claimed