Sugi Predict

Sugi Predict / Compounds / SCHEMBL7987344

SCHEMBL7987344

SCHEMBL7987344

COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)c4cccc5ccccc45)cccc2-3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 19/20 1.00
▸ CCNE1 P24864 19/20 1.00
▸ CDK2 P24941 19/20 1.00
▸ CDK4 P11802 17/20 0.77
▸ CCND1 P24385 17/20 0.77

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
SCHEMBL7987346 0.93 CCNE2 (0.88) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL5515366 0.90 CCNE2 (0.82) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7998034 0.90 CCNE2 (0.82) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL5518134 0.90 CCNE2 (0.82) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL5515006 0.87 CCNE2 (0.83) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7987271 0.87 CCNE2 (0.85) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL8000258 0.87 CCNE2 (1.00) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL5515858 0.85 CCNE2 (0.74) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7987334 0.85 CCNE2 (0.81) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL5514171 0.85 CCNE2 (0.81) 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