SCHEMBL4027018

SCHEMBL4027018

O=C(CCCN1CCCC1)Nc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(=O)NN4CCOCC4)cccc2-3)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.64
CCND1 P24385 20/20 0.64
CDK2 P24941 3/20 0.57
CCNE2 O96020 2/20 0.57
CCNE1 P24864 2/20 0.57
CIT O14578 1/20 0.57
GAK O14976 1/20 0.57
CCNT1 O60563 1/20 0.57
STK16 O75716 1/20 0.57
PRKD3 O94806 1/20 0.57
MAP4K4 O95819 1/20 0.57
CDK1 P06493 1/20 0.57
PDGFRB P09619 1/20 0.57
BCR P11274 1/20 0.57
CCNB1 P14635 1/20 0.57
ERCC2 P18074 1/20 0.57
CSNK2A2 P19784 1/20 0.57
JAK1 P23458 1/20 0.57
CCND3 P30281 1/20 0.57
FLT3 P36888 1/20 0.57

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
SCHEMBL4027490 0.96 CDK4 (0.66) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL4026090 0.95 CDK4 (0.66) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL4027481 0.93 CDK4 (0.65) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL4027008 0.91 CDK4 (0.58) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL4034106 0.88 CDK4 (0.67) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL4025582 0.86 CDK4 (0.57) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL4028043 0.86 CDK4 (0.59) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL4028341 0.86 CDK4 (0.64) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL4027508 0.85 CDK4 (0.60) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL4023942 0.84 CDK4 (0.58) CDK4CCND1CDK2CCNE2CCNE1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071668-B1 5-AMINOINDENO[1,2-C]PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-06-03 EP claimed