SCHEMBL7976472

SCHEMBL7976472

O=c1[nH]ccc(=O)c2c1[nH]c1ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.57
CDK4 P11802 5/20 0.49
CCND1 P24385 5/20 0.49
PRKCA P17252 4/20 0.49
CCNE2 O96020 3/20 0.49
CCNE1 P24864 3/20 0.49
CDK2 P24941 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CAMK2B Q13554 3/20 0.49
CAMK2G Q13555 3/20 0.49
CAMK2D Q13557 3/20 0.49
CAMK2A Q9UQM7 3/20 0.49
CDK5 Q00535 2/20 0.49
CDK5R1 Q15078 2/20 0.49
MAPT P10636 2/20 0.49
PRKD3 O94806 2/20 0.49
PRKCG P05129 2/20 0.49
PRKCB P05771 2/20 0.49
PRKACA P17612 2/20 0.49

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
SCHEMBL21384427 0.80 ALDH1A1 (0.53) CHEK1CDK4CCND1PRKCACCNE2
SCHEMBL29391464 0.77 CHEK1 (0.66) CHEK1CDK4CCND1PRKCACCNE2
SCHEMBL3236817 0.77 CHEK1 (0.66) CHEK1CDK4CCND1PRKCACCNE2
SCHEMBL798414 0.77 ALDH1A1 (0.52) CHEK1CDK4CCND1PRKCACCNE2
SCHEMBL19198253 0.74 CHEK1 (0.61) CHEK1CDK4CCND1PRKCACCNE2
SCHEMBL22457271 0.73 CHEK1 (0.59) CHEK1CDK4CCND1PRKCACCNE2
SCHEMBL22457440 0.72 PARP1 (0.57) CHEK1CDK4CCND1PRKCACCNE2
SCHEMBL2956909 0.72 CHEK1 (0.69) CHEK1CDK4CCND1PRKCACCNE2
SCHEMBL22457098 0.71 CHEK1 (0.62) CHEK1CDK4CCND1PRKCACCNE2
SCHEMBL23132448 0.71 CHEK1 (0.61) CHEK1CDK4CCND1PRKCACCNE2

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
WO-2001064680-A1 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-07 WO claimed
WO-2001064680-A1 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-07 WO disclosed