SCHEMBL6137233

SCHEMBL6137233

CC1=C(C#N)C(c2cccc(N(C)C)c2)NC(=O)N1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.39
CYP2C9 P11712 2/20 0.39
TDP1 Q9NUW8 3/20 0.34
ALDH1A1 P00352 5/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 4/20 0.33
HTT P42858 3/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 2/20 0.33
KDM2B Q8NHM5 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 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
SCHEMBL6609236 0.85 ELANE (0.45) ELANECYP2C9TDP1TSHRCASP1
SCHEMBL6137166 0.84 KMT2A (0.45) ELANECYP2C9TDP1ALDH1A1POLB
SCHEMBL6608283 0.84 ELANE (0.40) ELANECYP2C9TDP1ALDH1A1POLB
SCHEMBL6137082 0.84 TDP1 (0.50) ELANECYP2C9TDP1ALDH1A1MEN1
SCHEMBL6608090 0.84 MAPK1 (0.44) ELANECYP2C9TDP1ALDH1A1POLB
SCHEMBL6137118 0.84 HTT (0.43) ELANECYP2C9TDP1ALDH1A1POLB
SCHEMBL6137365 0.84 ELANE (0.40) ELANECYP2C9TDP1ALDH1A1POLB
SCHEMBL6609319 0.82 ALDH1A1 (0.46) ELANECYP2C9ALDH1A1MAPTMAPK1
SCHEMBL6137183 0.81 ATM (0.50) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL6607324 0.81 KMT2A (0.44) ELANECYP2C9ALDH1A1MEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373221-A4 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL MYERS SQUIBB CO (US) 2004-09-29 EP claimed
EP-1373221-A2 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2004-01-02 EP claimed
WO-2002079149-A2 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO claimed
EP-1372657-A4 A METHOD OF TREATING PROLIFERATIVE DISEASES USING EG5 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2005-11-09 EP disclosed
EP-1373223-A4 CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL MYERS SQUIBB CO (US) 2004-09-29 EP disclosed
EP-1372657-A2 A METHOD OF TREATING PROLIFERATIVE DISEASES USING EG5 INHIBITORS Bristol-Myers Squibb Company (US) 2004-01-02 EP disclosed
EP-1373223-A1 CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2004-01-02 EP disclosed
WO-2002079169-A1 CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO disclosed
WO-2002078639-A2 A METHOD OF TREATING PROLIFERATIVE DISEASES USING EG5 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO disclosed