SCHEMBL2010184

SCHEMBL2010184

CC1=C(C#N)C(c2ccc3[nH]nc(NCC4CCN(C(=O)O)CC4)c3c2)C(C#N)=C(C)N1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.44
RPS6KA3 P51812 1/20 0.44
GABRA1 P14867 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
ACHE P22303 1/20 0.40
GSK3B P49841 3/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CRHR1 P34998 2/20 0.38
MAPK1 P28482 3/20 0.37
CDC7 O00311 2/20 0.37
DRD5 P21918 1/20 0.36
HTR2C P28335 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL4989299 0.89 CNR1 (0.45) METRPS6KA3KDM4E
SCHEMBL4994810 0.85 MET (0.49) METRPS6KA3GABRA1TMEM97ACHE
SCHEMBL27780430 0.80 MET (0.47) METRPS6KA3GABRA1TMEM97KDM4E
SCHEMBL2009550 0.79 MET (0.58) METRPS6KA3GABRA1TMEM97KDM4E
SCHEMBL4994234 0.79 MAPK10 (0.46)
Hydrochloric Acid SCHEMBL4999892 0.79 MET (0.57) METRPS6KA3GABRA1TMEM97KDM4E
SCHEMBL2008793 0.78 MET (0.47) METRPS6KA3GABRA1TMEM97KDM4E
SCHEMBL2015113 0.78 MET (0.54) METRPS6KA3GABRA1TMEM97KDM4E
SCHEMBL4999639 0.77 MET (0.53) METRPS6KA3GABRA1TMEM97KDM4E
SCHEMBL4994253 0.77 MET (0.48) METRPS6KA3GABRA1TMEM97KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121608-A1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS Bayer Schering Pharma AG (DE) 2009-11-25 EP claimed
WO-2008071451-A1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
WO-2011067189-A2 CMET INHIBITORS FOR TREATING ENDOMETRIOSIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-09 WO disclosed
EP-2121608-A1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS Bayer Schering Pharma AG (DE) 2009-11-25 EP disclosed
WO-2008071451-A1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO disclosed