SCHEMBL8545576

SCHEMBL8545576

Clc1ccc(CCCc2ncnc3ccccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.59
EGFR P00533 3/20 0.55
PIK3CD O00329 1/20 0.48
PIK3R1 P27986 1/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
ACHE P22303 1/20 0.46
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
APP P05067 1/20 0.43
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
AKT1 P31749 1/20 0.40

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
SCHEMBL8547170 0.87 HTT (0.55) HTTEGFRPIK3CDPIK3R1PDE4A
SCHEMBL7511027 0.84 EGFR (0.57) HTTEGFRPDE4APDE4BPDE4C
SCHEMBL8547866 0.84 HTT (0.43) HTTEGFRPIK3CDPIK3R1PDE4A
SCHEMBL8544390 0.81 ACHE (0.43) HTTEGFRPDE4APDE4BPDE4C
SCHEMBL8547584 0.81 KDR (0.51) HTTEGFRACHERAB9ANPC1
SCHEMBL29057185 0.77 SMN1; SMN2 (0.53) HTTEGFRPDE4APDE4BPDE4C
SCHEMBL8542357 0.76 RAB9A (0.58) HTTEGFRPDE4APDE4BPDE4C
SCHEMBL8079742 0.76 PI4KA (0.47) HTTEGFRPDE4APDE4BPDE4C
SCHEMBL8654328 0.76 ACHE (0.43) HTTEGFRPDE4APDE4BPDE4C
SCHEMBL28055911 0.74 PI4KA (0.46) HTTPDE4APDE4BPDE4CPDE4D

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-0326329-B1 Quinazoline derivatives useful as insecticides. DOW AGROSCIENCES LLC (US) 1998-10-28 EP disclosed