SCHEMBL6640895

SCHEMBL6640895

CC(C)n1c(=O)ccc2cnc(Nc3ccc(F)cc3)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.50
EGFR P00533 1/20 0.50
CDK4 P11802 6/20 0.46
CCND1 P24385 6/20 0.46
CCND2 P30279 5/20 0.46
CCND3 P30281 5/20 0.46
CDK2 P24941 3/20 0.42
CCNA2 P20248 2/20 0.42
FGFR1 P11362 2/20 0.42
CCNB2 O95067 1/20 0.42
CCNE2 O96020 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
CCNE1 P24864 1/20 0.42
CCNA1 P78396 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
AURKA O14965 1/20 0.41

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
SCHEMBL6641580 0.84 BTK (0.60) BTKCDK2FGFR1MAPK10SRC
SCHEMBL6642011 0.84 CDK4 (0.47) BTKEGFRCDK4CCND1CCND2
SCHEMBL6642254 0.83 CDK4 (0.55) EGFRCDK4CCND1CCND2CCND3
SCHEMBL6640721 0.82 EGFR (0.47) BTKEGFRCDK4CCND1CCND2
SCHEMBL6641350 0.82 CDK4 (0.54) EGFRCDK4CCND1CCND2CCND3
SCHEMBL6639168 0.81 CDK4 (0.67) EGFRCDK4CCND1CCND2CCND3
SCHEMBL6640623 0.81 CDK4 (0.51) BTKCDK4CCND1CCND2CCND3
SCHEMBL6641887 0.81 BTK (0.67) BTKCDK4CCND1CCND2CCND3
SCHEMBL6638256 0.80 AURKA (0.44) BTKEGFRCDK4CCND1CCND2
SCHEMBL6639764 0.79 EGFR (0.56) EGFRCDK4CCND1CCND2CCND3

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 8 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-A1 NAPHTHYRIDINONES FOR INHIBITING PROTEIN TYROSINE KINASE AND CELL CYCLE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY LLC (US) 2000-05-31 EP claimed
WO-1999009030-A1 NAPHTHYRIDINONES FOR INHIBITING PROTEIN TYROSINE KINASE AND CELL CYCLE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-02-25 WO 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
EP-1003745-A1 NAPHTHYRIDINONES FOR INHIBITING PROTEIN TYROSINE KINASE AND CELL CYCLE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY LLC (US) 2000-05-31 EP disclosed
WO-1999009030-A1 NAPHTHYRIDINONES FOR INHIBITING PROTEIN TYROSINE KINASE AND CELL CYCLE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-02-25 WO disclosed