SCHEMBL8000258

SCHEMBL8000258

COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)c4ccc5ccccc5c4)cccc2-3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 19/20 1.00
CCNE1 P24864 19/20 1.00
CDK2 P24941 19/20 1.00
CDK4 P11802 16/20 1.00
CCND1 P24385 16/20 1.00
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL8000261 0.93 CCNE2 (0.88) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7987271 0.92 CCNE2 (0.85) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL5515006 0.91 CCNE2 (0.83) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL5521486 0.90 CCNE2 (0.82) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL8000146 0.90 CCNE2 (0.82) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL5514171 0.90 CCNE2 (0.81) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7987334 0.90 CCNE2 (0.81) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7998054 0.89 CCNE2 (0.80) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL5530383 0.89 CCNE2 (0.79) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL5521970 0.88 CCNE2 (0.79) CCNE2CCNE1CDK2CDK4CCND1

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
US-6291504-B1 POTENT INHIBITORS OF THE CLASS OF ENZYMES KNOWN AS CYCLIN DEPENDENT KINASES DUPONT PHARMACEUTICALS COMPANY 2001-09-18 US claimed
US-6291504-B1 POTENT INHIBITORS OF THE CLASS OF ENZYMES KNOWN AS CYCLIN DEPENDENT KINASES DUPONT PHARMACEUTICALS COMPANY 2001-09-18 US disclosed