SCHEMBL11265490

SCHEMBL11265490

Cc1ccc2ncnc(NCCCCOc3ccccc3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.70
HTT P42858 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
PIK3CD O00329 2/20 0.63
PIK3R1 P27986 2/20 0.63
ALDH1A1 P00352 6/20 0.63
KDM4E B2RXH2 3/20 0.63
L3MBTL1 Q9Y468 1/20 0.58
MAPK1 P28482 3/20 0.55
CLK4 Q9HAZ1 5/20 0.53
CYP1A2 P05177 4/20 0.53
CYP3A4 P08684 4/20 0.53
CYP2D6 P10635 4/20 0.53
CYP2C19 P33261 4/20 0.53
HSD17B10 Q99714 4/20 0.53
USP2 O75604 2/20 0.53
EGFR P00533 1/20 0.52
S1PR2 O95136 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 3/20 0.50

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
SCHEMBL11249399 0.96 LMNA (0.75) LMNAHTTSMN1; SMN2PIK3CDPIK3R1
SCHEMBL11250079 0.93 PIK3CD (0.73) LMNAHTTSMN1; SMN2PIK3CDPIK3R1
SCHEMBL11249441 0.85 LMNA (0.64) LMNAHTTSMN1; SMN2PIK3CDPIK3R1
SCHEMBL11243884 0.85 LMNA (0.72) LMNAHTTSMN1; SMN2PIK3CDPIK3R1
SCHEMBL11242092 0.84 LMNA (0.66) LMNAHTTSMN1; SMN2PIK3CDPIK3R1
SCHEMBL11255375 0.84 LMNA (0.60) LMNAHTTSMN1; SMN2PIK3CDPIK3R1
SCHEMBL11255017 0.84 LMNA (0.66) LMNAHTTSMN1; SMN2PIK3CDPIK3R1
SCHEMBL11250379 0.84 LMNA (0.66) LMNAHTTSMN1; SMN2PIK3CDPIK3R1
SCHEMBL11243336 0.84 LMNA (0.66) LMNAHTTSMN1; SMN2PIK3CDPIK3R1
SCHEMBL11250034 0.84 LMNA (0.66) LMNAHTTSMN1; SMN2PIK3CDPIK3R1

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-4323680-A 4-Aminoquinazoline compounds useful as agricultural fungicides SANKYO COMPANY LIMITED (JP) 1982-04-06 US disclosed
US-4213987-A 4-AMINOQUINAZOLINES SANKYO COMPANY LIMITED (JP) 1980-07-22 US disclosed