SCHEMBL12856433

SCHEMBL12856433

O=C1c2ccccc2-c2n[nH]c(-c3ccccc3)c21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.55
CCNE2 O96020 2/20 0.55
CDK4 P11802 2/20 0.55
CCND1 P24385 2/20 0.55
CCNE1 P24864 2/20 0.55
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
MAOB P27338 3/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 3/20 0.47
HSD17B10 Q99714 3/20 0.47
GAA P10253 3/20 0.47
MAPK1 P28482 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 2/20 0.47
KDR P35968 2/20 0.46
MAPT P10636 2/20 0.46

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
SCHEMBL7090159 0.86 CDK4 (0.71) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL14452732 0.82 CCNE2 (0.58) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL7148608 0.76 CDK4 (0.66) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL18292498 0.75 NPSR1 (0.54) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL4025529 0.74 CCNE2 (0.83) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL4816704 0.74 CDK4 (0.68) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL7146443 0.74 CDK4 (0.68) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL7145484 0.74 CDK4 (0.68) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL5231898 0.74 KDM4E (0.62) KDM4EALDH1A1NPC1HSD17B10GAA
SCHEMBL6749016 0.73 CDK4 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1364212-B1 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2011-02-02 EP disclosed
EP-1975620-A2 Three hybrid assay system GPC Biotech AG (DE) 2008-10-01 EP disclosed