SCHEMBL13076190

SCHEMBL13076190

C=C/C(c1cc(C(=O)c2nc3ccc(N4CCC(N(C)C)CC4)cc3[nH]2)ccc1OC)=c1/cccc/c1=C/N

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.51
CCND1 P24385 6/20 0.51
CCND3 P30281 5/20 0.51
CDK6 Q00534 5/20 0.51
CDK1 P06493 3/20 0.51
CCNB1 P14635 3/20 0.51
CCNA2 P20248 3/20 0.50
CDK2 P24941 3/20 0.50
CCNA1 P78396 3/20 0.50
EGFR P00533 7/20 0.39
ALK Q9UM73 1/20 0.39
PDE10A Q9Y233 3/20 0.39
PLK1 P53350 1/20 0.37
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
KDR P35968 1/20 0.37
CTSC P53634 1/20 0.34
BTK Q06187 1/20 0.34
CHEK2 O96017 1/20 0.34

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
SCHEMBL13075596 0.77 EGFR (0.41) EGFRALKPLK1FGFR1CTSC
SCHEMBL112881 0.76 CDK4 (0.74) CDK4CCND1CCND3CDK6CDK1
SCHEMBL2142295 0.72 CDK4 (0.48) CDK4CCND1CCND3CDK6CDK1
SCHEMBL13075581 0.72 CDK4 (0.49) CDK4CCND1CCND3CDK6CDK1
SCHEMBL111653 0.72 CDK4 (0.66) CDK4CCND1CCND3CDK6CDK1
SCHEMBL112357 0.71 CDK4 (0.68) CDK4CCND1CCND3CDK6CDK1
SCHEMBL109487 0.71 CDK4 (0.73) CDK4CCND1CCND3CDK6CDK1
SCHEMBL112578 0.71 CDK4 (0.74) CDK4CCND1CCND3CDK6CDK1
SCHEMBL112736 0.71 CDK4 (0.72) CDK4CCND1CCND3CDK6CDK1
SCHEMBL111810 0.70 CDK4 (0.83) CDK4CCND1CCND3CDK6CDK1

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
WO-2010125402-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2010-11-04 WO disclosed