SCHEMBL6583141

SCHEMBL6583141

C#CCN(Cc1cc2c(=O)n(CCN(C)C)c(CN3CCCCC3)nc2cc1Cl)c1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 16/20 0.51
ALDH1A1 P00352 1/20 0.34
GLP1R P43220 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6584349 0.91 NAMPT (0.61) NAMPTSMN1; SMN2
SCHEMBL6586116 0.91 NAMPT (0.54) NAMPTALDH1A1GLP1RSMN1; SMN2
SCHEMBL6585453 0.90 NAMPT (0.61) NAMPTALDH1A1
SCHEMBL6580048 0.90 NAMPT (0.49) NAMPTALDH1A1SMN1; SMN2
SCHEMBL6582830 0.90 NAMPT (0.51) NAMPTALDH1A1SMN1; SMN2
SCHEMBL6582617 0.88 NAMPT (0.49) NAMPTALDH1A1SMN1; SMN2
SCHEMBL6583700 0.85 NAMPT (0.68) NAMPT
SCHEMBL6585938 0.85 NAMPT (0.63) NAMPTALDH1A1
SCHEMBL6580412 0.84 NAMPT (0.60) NAMPTALDH1A1SMN1; SMN2
SCHEMBL6582863 0.83 NAMPT (0.59) NAMPTALDH1A1SMN1; SMN2

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