SCHEMBL13812973

SCHEMBL13812973

Bc1cnc(SC)nc1NC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
GABBR2 O75899 2/20 0.50
GABBR1 Q9UBS5 2/20 0.50
CYP1A2 P05177 2/20 0.50
MEN1 O00255 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MERTK Q12866 1/20 0.45
ADORA1 P30542 3/20 0.39
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
HPGDS O60760 2/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRM3 P20309 2/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 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
SCHEMBL13812977 0.83 GABBR2 (0.51) KMT2AGABBR2GABBR1CYP1A2MEN1
SCHEMBL29991645 0.82 KMT2A (0.50) KMT2AGABBR2GABBR1CYP1A2MEN1
SCHEMBL4065318 0.82 KMT2A (0.50) KMT2AGABBR2GABBR1CYP1A2MEN1
SCHEMBL27225170 0.81 KMT2A (0.49) KMT2AGABBR2GABBR1CYP1A2MEN1
SCHEMBL22184593 0.79 KMT2A (0.51) KMT2AGABBR2GABBR1CYP1A2MEN1
SCHEMBL574174 0.79 KMT2A (0.51) KMT2AGABBR2GABBR1CYP1A2MEN1
SCHEMBL24496115 0.78 KMT2A (0.47) KMT2AGABBR2GABBR1CYP1A2MEN1
SCHEMBL22184570 0.78 KMT2A (0.47) KMT2AGABBR2GABBR1CYP1A2MEN1
SCHEMBL6944883 0.78 KMT2A (0.47) KMT2AGABBR2GABBR1CYP1A2MEN1
SCHEMBL4712427 0.78 KMT2A (0.50) KMT2AGABBR2GABBR1CYP1A2MEN1

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-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 EP disclosed