SCHEMBL6642014

SCHEMBL6642014

O=c1ccc2cnc(Nc3ccc(N4CCCC4)cc3)cc2n1C1CCCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 15/20 0.67
CCND1 P24385 15/20 0.67
CCND2 P30279 13/20 0.67
CCND3 P30281 13/20 0.67
CDK2 P24941 9/20 0.67
CCNA2 P20248 8/20 0.67
CCNA1 P78396 7/20 0.67
CCNE2 O96020 6/20 0.67
CCNE1 P24864 6/20 0.67
CCNB2 O95067 3/20 0.67
CDK1 P06493 3/20 0.67
CCNB1 P14635 3/20 0.67
CCNB3 Q8WWL7 3/20 0.67
FGFR1 P11362 5/20 0.57
FGFR2 P21802 5/20 0.57
FGFR4 P22455 5/20 0.57
FGFR3 P22607 5/20 0.57
PAK4 O96013 1/20 0.56
PAK1 Q13153 1/20 0.56
PKN1 Q16512 1/20 0.56

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
SCHEMBL6640630 1.00 CDK4 (0.67) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6638713 1.00 CDK4 (0.67) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6641509 1.00 CDK4 (0.67) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6642357 1.00 CDK4 (0.67) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6642681 0.99 CDK4 (0.65) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6640208 0.92 CDK4 (0.57) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6640674 0.92 CDK4 (0.57) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6640834 0.92 CDK4 (0.69) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6642115 0.92 CDK4 (0.69) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6641973 0.91 CDK4 (0.68) 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