SCHEMBL6582181

SCHEMBL6582181

C#CCN(Cc1cc2c(=O)[nH]c(CN3CCCCC3)nc2cc1Cl)c1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.46
TYMS P04818 3/20 0.41
DHFR P00374 3/20 0.40

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
SCHEMBL6584472 0.89 NAMPT (0.48) NAMPTTYMSDHFR
SCHEMBL6582558 0.88 NAMPT (0.49) NAMPTTYMSDHFR
SCHEMBL6584349 0.86 NAMPT (0.61) NAMPT
SCHEMBL6583369 0.85 NAMPT (0.48) NAMPTTYMSDHFR
SCHEMBL6585453 0.85 NAMPT (0.61) NAMPT
SCHEMBL6586178 0.84 NAMPT (0.47) NAMPTTYMSDHFR
SCHEMBL6583141 0.82 NAMPT (0.51) NAMPT
SCHEMBL6580048 0.82 NAMPT (0.49) NAMPT
SCHEMBL6582830 0.82 NAMPT (0.51) NAMPT
SCHEMBL6582617 0.81 NAMPT (0.49) NAMPT

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-1155012-B1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES CANCER REC TECH LTD (GB) 2004-04-14 EP disclosed
US-6699861-B1 ANTI-CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-03-02 US disclosed
EP-1155012-A1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES Cancer Research Ventures Limited (GB) 2001-11-21 EP disclosed
WO-2000050417-A1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES CANCER RESEARCH VENTURES LIMITED (GB) 2000-08-31 WO disclosed