SCHEMBL6639869

SCHEMBL6639869

O=c1c(F)cc2cnc(Nc3ccc(N4CCC(CCCO)CC4)cc3)cc2n1C1CC2CCC1C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 12/20 0.62
CCND1 P24385 9/20 0.62
CCND2 P30279 7/20 0.62
CCND3 P30281 7/20 0.62
CDK2 P24941 3/20 0.62
FGFR1 P11362 3/20 0.62
CCNE2 O96020 2/20 0.62
CCNE1 P24864 2/20 0.62
CCNA2 P20248 2/20 0.62
FGFR2 P21802 1/20 0.62
FGFR4 P22455 1/20 0.62
FGFR3 P22607 1/20 0.62
CCNA1 P78396 1/20 0.62
CDK6 Q00534 2/20 0.39
WEE1 P30291 2/20 0.39
AURKA O14965 1/20 0.38
FYN P06241 2/20 0.36
CSF1R P07333 1/20 0.36
SRC P12931 2/20 0.36
EGFR P00533 1/20 0.35

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
SCHEMBL6639822 0.89 CDK4 (0.50) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6645499 0.89 CDK4 (0.74) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6641123 0.88 CDK4 (0.47) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6641872 0.87 CDK4 (0.49) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6641125 0.87 CDK4 (0.48) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6641119 0.86 CDK4 (0.59) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6641106 0.85 CDK4 (0.59) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6642352 0.85 CDK4 (0.59) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6640880 0.85 CDK4 (0.59) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6639408 0.85 CDK4 (0.44) CDK4CCND1CCND2CCND3CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1003745-B1 NAPHTHYRIDINONES FOR INHIBITING PROTEIN TYROSINE KINASE AND CELL CYCLE KINASE MEDIATED CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2004-12-29 EP claimed
US-6150359-A 1,6-NAPHTHYRIDIONE COMPOUNDS USEFUL FOR TREATING CANCER, RESTENOSIS AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 2000-11-21 US claimed
EP-1003745-B1 NAPHTHYRIDINONES FOR INHIBITING PROTEIN TYROSINE KINASE AND CELL CYCLE KINASE MEDIATED CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2004-12-29 EP disclosed
US-6150359-A 1,6-NAPHTHYRIDIONE COMPOUNDS USEFUL FOR TREATING CANCER, RESTENOSIS AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 2000-11-21 US disclosed