SCHEMBL6090969

SCHEMBL6090969

CC(C)C1C(O)=CCc2cnc(Nc3ccc(N4CCCC4)cc3)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 10/20 0.46
CCND1 P24385 9/20 0.46
CDK2 P24941 4/20 0.45
CCNE1 P24864 3/20 0.45
EGFR P00533 4/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
NR4A1 P22736 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SYK P43405 3/20 0.43
KDR P35968 3/20 0.42
CCNA2 P20248 3/20 0.42
CCND2 P30279 3/20 0.42
CCND3 P30281 3/20 0.42

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
SCHEMBL6087196 0.91 CDK4 (0.49) CDK4CCND1CDK2CCNE1SYK
SCHEMBL6087486 0.89 ALK (0.56) CDK4CCND1CDK2CCNE1SYK
SCHEMBL6087151 0.87 CDK4 (0.41) CDK4CCND1CDK2CCNE1EGFR
SCHEMBL6088805 0.87 CDK4 (0.51) CDK4CCND1CDK2CCNE1EGFR
SCHEMBL6089242 0.86 SYK (0.53) CDK4CCND1CDK2CCNE1EGFR
SCHEMBL7468168 0.86 CDK4 (0.40) CDK4CCND1CDK2CCNE1EGFR
SCHEMBL6087469 0.86 CDK4 (0.51) CDK4CCND1CDK2CCNE1EGFR
SCHEMBL6089214 0.86 CDK2 (0.54) CDK4CCND1CDK2CCNE1SYK
SCHEMBL7471665 0.86 SYK (0.40) CDK4CCND1CDK2CCNE1EGFR
SCHEMBL6087827 0.85 SYK (0.44) CDK4CCND1CDK2CCNE1SYK

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