SCHEMBL8003502

SCHEMBL8003502

CN1CCN(c2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NNC(=O)c5cccnc5)cccc3-4)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 18/20 0.60
CCNE1 P24864 18/20 0.60
CDK2 P24941 18/20 0.60
CDK4 P11802 17/20 0.60
CCND1 P24385 17/20 0.60
CIT O14578 1/20 0.48
GAK O14976 1/20 0.48
CCNT1 O60563 1/20 0.48
STK16 O75716 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
CDK1 P06493 1/20 0.48
PDGFRB P09619 1/20 0.48
BCR P11274 1/20 0.48
CCNB1 P14635 1/20 0.48
ERCC2 P18074 1/20 0.48
CSNK2A2 P19784 1/20 0.48
JAK1 P23458 1/20 0.48
CCND3 P30281 1/20 0.48
FLT3 P36888 1/20 0.48

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
SCHEMBL8003499 0.94 CDK4 (0.54) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL8003514 0.92 CCNE2 (0.62) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7987389 0.86 CDK4 (0.53) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL8003511 0.85 CDK4 (0.56) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL5524476 0.84 CCNE2 (0.70) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6343074 0.84 CCNE2 (0.60) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7664896 0.82 CDK4 (0.80) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6346621 0.82 CDK4 (0.60) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7659778 0.82 CDK4 (0.69) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7987393 0.80 CDK2 (0.49) 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