SCHEMBL10667172

SCHEMBL10667172

CC1=C(C#N)C(c2ccncc2)C(C#N)=C(C)N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.55
POLB P06746 2/20 0.55
MAPK1 P28482 1/20 0.55
MET P08581 2/20 0.52
RPS6KA3 P51812 1/20 0.52
ALDH1A1 P00352 11/20 0.50
KDM4E B2RXH2 8/20 0.50
MAPT P10636 8/20 0.50
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 4/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 4/20 0.43
GLA P06280 2/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
CASP1 P29466 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CASP7 P55210 1/20 0.42

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
SCHEMBL7817348 0.87 MET (0.59) CUL4ASMN1; SMN2POLBMAPK1MET
SCHEMBL7815153 0.81 KDM4E (0.60) CUL4ASMN1; SMN2POLBMAPK1MET
SCHEMBL7820657 0.81 KDM4E (0.61) SMN1; SMN2POLBMAPK1METRPS6KA3
SCHEMBL10663996 0.80 ALDH1A1 (0.64) SMN1; SMN2POLBMAPK1METRPS6KA3
SCHEMBL7814815 0.79 ALDH1A1 (0.62) SMN1; SMN2POLBMAPK1METRPS6KA3
SCHEMBL7817770 0.79 MET (0.53) SMN1; SMN2POLBMAPK1METRPS6KA3
SCHEMBL7814851 0.79 ALDH1A1 (0.60) SMN1; SMN2POLBMAPK1METRPS6KA3
SCHEMBL8928253 0.77 PDE3B (0.52) SMN1; SMN2POLBMAPK1METRPS6KA3
SCHEMBL7806871 0.76 ALDH1A1 (0.53) SMN1; SMN2POLBMAPK1METRPS6KA3
SCHEMBL7820367 0.76 MET (0.50) SMN1; SMN2POLBMAPK1METRPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4771057-A TREATMENT OF ANGINA, ARRHYTHMIAS, CEREBRALVASCULAR DISEASE AND HYPERTENSION UNIVERSITY OF ALBERTA (CA) 1988-09-13 US disclosed
EP-0239186-A1 Antihypertensive reduced pyridyl derivatives The Governors of the University of Alberta (CA) 1987-09-30 EP disclosed