SCHEMBL3661401

SCHEMBL3661401

Cc1cccc2cc(CCNc3ncnc4nc[nH]c34)c(-c3ccccc3)nc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.60
HTT P42858 6/20 0.60
MAPK1 P28482 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
PIK3CD O00329 6/20 0.58
TAAR1 Q96RJ0 1/20 0.56
PIK3CG P48736 2/20 0.52
TSHR P16473 5/20 0.52
HSD17B10 Q99714 5/20 0.52
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GFER P55789 2/20 0.51
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47
CDK2 P24941 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALOX15 P16050 2/20 0.46
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL1881522 0.92 PIK3CD (0.67) LMNAHTTMAPK1SMN1; SMN2PIK3CD
SCHEMBL1887223 0.83 PIK3CD (0.67) LMNAHTTMAPK1SMN1; SMN2PIK3CD
SCHEMBL3654897 0.82 PIK3CD (0.68) LMNAHTTPIK3CDPIK3CGTSHR
SCHEMBL4436004 0.82 HTT (0.54) LMNAHTTMAPK1SMN1; SMN2PIK3CD
SCHEMBL1879213 0.81 PIK3CD (0.61) LMNAHTTMAPK1SMN1; SMN2PIK3CD
SCHEMBL4176220 0.80 LMNA (0.53) LMNAHTTMAPK1SMN1; SMN2PIK3CD
SCHEMBL1888908 0.80 PIK3CD (0.84) PIK3CDPIK3CGMAPTMEN1KMT2A
SCHEMBL1884069 0.80 PIK3CG (0.75) LMNASMN1; SMN2PIK3CDPIK3CGHSD17B10
SCHEMBL4434824 0.77 LMNA (0.42) LMNAHTTMAPK1SMN1; SMN2PIK3CD
SCHEMBL1883935 0.76 PIK3CD (0.60) LMNAHTTMAPK1SMN1; SMN2PIK3CD

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
EP-2231641-A2 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2010-09-29 EP disclosed
WO-2009081105-A2 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-07-02 WO disclosed