SCHEMBL13685487

SCHEMBL13685487

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.60
RPS6KA3 P51812 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
DRD5 P21918 1/20 0.47
HTR2C P28335 1/20 0.47
HTR6 P50406 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GABRA1 P14867 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41

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
SCHEMBL1414765 0.85 MET (0.66) METRPS6KA3SMN1; SMN2POLBMAPK1
Bay-474 SCHEMBL4994862 0.85 MET (0.66) METRPS6KA3SMN1; SMN2POLBMAPK1
SCHEMBL2009485 0.82 MET (0.63) METRPS6KA3SMN1; SMN2POLBMAPK1
SCHEMBL2013768 0.82 MET (0.63) METRPS6KA3SMN1; SMN2POLBMAPK1
SCHEMBL4996153 0.82 MET (0.63) METRPS6KA3SMN1; SMN2POLBMAPK1
SCHEMBL4988283 0.82 MET (0.63) METRPS6KA3SMN1; SMN2POLBMAPK1
SCHEMBL2015149 0.82 MET (0.59) METRPS6KA3SMN1; SMN2POLBMAPK1
SCHEMBL2012524 0.81 MET (0.53) METRPS6KA3SMN1; SMN2POLBMAPK1
SCHEMBL2010519 0.81 MET (0.58) METRPS6KA3SMN1; SMN2POLBMAPK1
SCHEMBL1415052 0.81 MET (0.61) METRPS6KA3SMN1; SMN2POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121608-B1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER IP GMBH (DE) 2012-11-14 EP disclosed