SCHEMBL6087449

SCHEMBL6087449

OC1=CCc2cnc(Nc3ccc(N4CCCC4)cc3)nc2C1C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.46
CCND1 P24385 11/20 0.46
CDK1 P06493 5/20 0.46
CCNE1 P24864 5/20 0.46
CDK2 P24941 5/20 0.46
CCNB1 P14635 4/20 0.46
CCND2 P30279 4/20 0.46
CCND3 P30281 4/20 0.46
CCNE2 O96020 3/20 0.46
CCNA2 P20248 3/20 0.46
CCNA1 P78396 3/20 0.46
CCNB2 O95067 2/20 0.46
CCNB3 Q8WWL7 2/20 0.46
SYK P43405 3/20 0.45
CDK6 Q00534 1/20 0.43
AURKA O14965 2/20 0.43
SRC P12931 2/20 0.43
KDR P35968 2/20 0.43
INSR P06213 1/20 0.43
PDGFRB P09619 1/20 0.43

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
SCHEMBL6087037 0.92 CDK4 (0.55) CDK4CCND1CDK1CCNE1CDK2
SCHEMBL6086961 0.89 SYK (0.55) CDK4CCND1CCNE1CDK2CCND2
SCHEMBL6087887 0.89 CDK4 (0.49) CDK4CCND1CDK1CCNE1CDK2
SCHEMBL6087803 0.88 CDK4 (0.42) CDK4CCND1CDK1CCNE1CDK2
SCHEMBL7469937 0.87 CDK4 (0.41) CDK4CCND1CDK1CCNE1CDK2
SCHEMBL6089130 0.87 CDK1 (0.54) CDK4CCND1CDK1CCNE1CDK2
SCHEMBL6087383 0.87 SYK (0.54) CDK4CCND1CDK1CCNE1CDK2
SCHEMBL7462456 0.86 SYK (0.43) CDK4CCND1CDK1CCNE1CDK2
SCHEMBL7463354 0.86 ERBB3 (0.41) CDK4CCND1CDK1CCNE1CDK2
SCHEMBL6087039 0.85 CDK4 (0.52) CDK4CCND1CDK1CCNE1CDK2

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
US-6982260-B1 Quinazolines and their use for inhibiting cyclin-dependent kinase enzymes WARNER-LAMBERT COMPANY (US) 2006-01-03 US disclosed