SCHEMBL6640460

SCHEMBL6640460

CC(C)CCn1c(=O)ccc2cnc(Nc3ccc(N4CCC(O)CC4)cc3)cc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.55
CCND1 P24385 8/20 0.55
CCND2 P30279 7/20 0.55
CCND3 P30281 7/20 0.55
JAK3 P52333 4/20 0.50
WEE1 P30291 1/20 0.46
FYN P06241 2/20 0.45
FGFR1 P11362 1/20 0.44
CCNA2 P20248 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR4 P22455 1/20 0.44
FGFR3 P22607 1/20 0.44
CDK2 P24941 1/20 0.44
ABL1 P00519 1/20 0.42
BTK Q06187 1/20 0.42
FLT3 P36888 2/20 0.42
TNK2 Q07912 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
SCHEMBL6641284 0.90 CDK4 (0.59) CDK4CCND1CCND2CCND3JAK3
SCHEMBL6642896 0.89 CDK4 (0.58) CDK4CCND1CCND2CCND3JAK3
SCHEMBL6642623 0.89 CDK4 (0.69) CDK4CCND1CCND2CCND3JAK3
SCHEMBL6640525 0.88 CDK4 (0.59) CDK4CCND1CCND2CCND3JAK3
SCHEMBL6642790 0.88 BTK (0.55) CDK4CCND1CCND2CCND3JAK3
SCHEMBL6640452 0.87 MAPK8 (0.46) CDK4CCND1CCND2CCND3WEE1
SCHEMBL6639508 0.85 CDK4 (0.49) CDK4CCND1CCND2CCND3JAK3
SCHEMBL6640917 0.85 WEE1 (0.51) CDK4CCND1CCND2CCND3JAK3
SCHEMBL6639764 0.84 EGFR (0.56) CDK4CCND1CCND2CCND3WEE1
SCHEMBL6643161 0.84 CDK4 (0.48) CDK4CCND1CCND2CCND3JAK3

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