SCHEMBL29680677

SCHEMBL29680677

O=C1c2ccccc2Cc2[nH]ncc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.57
PLK4 O00444 1/20 0.50
DAPK3 O43293 1/20 0.50
PIM1 P11309 1/20 0.50
PDGFRA P16234 1/20 0.50
LTK P29376 1/20 0.50
MAP2K2 P36507 1/20 0.50
FLT3 P36888 1/20 0.50
MAPK8 P45983 1/20 0.50
MAPK9 P45984 1/20 0.50
CSNK1A1 P48729 1/20 0.50
TDO2 P48775 1/20 0.50
CDK8 P49336 1/20 0.50
CDK5 Q00535 1/20 0.50
MAP2K1 Q02750 1/20 0.50
MST1R Q04912 1/20 0.50
PTK2 Q05397 1/20 0.50
MAP4K2 Q12851 1/20 0.50
ROCK1 Q13464 1/20 0.50
DYRK1A Q13627 1/20 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
SCHEMBL2376041 0.85 MAPK8 (0.56) MAOAPLK4DAPK3PIM1PDGFRA
SCHEMBL11697643 0.77 PKM (0.53) ALDH1A1MIFMAOBKMT2AMEN1
Anthrone SCHEMBL29357010 0.74 MAOA (1.00) MAOACES1BCHEALDH1A1CYP1A2
Anthrone SCHEMBL1527782 0.74 MAOA (1.00) MAOACES1BCHEALDH1A1CYP1A2
Anthrone SCHEMBL29448801 0.74 MAOA (1.00) MAOACES1BCHEALDH1A1CYP1A2
Anthrone SCHEMBL18143 0.74 MAOA (1.00) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL2377273 0.73 CDK8 (0.46) PLK4DAPK3PIM1PDGFRALTK
Anthrone SCHEMBL30922196 0.72 MAOA (0.95) MAOACES1BCHEALDH1A1CYP1A2
Anthrone SCHEMBL22574797 0.72 MAOA (0.95) MAOACES1BCHEALDH1A1CYP1A2
Anthraquinone SCHEMBL22026730 0.72 MAOA (0.95) MAOACES1BCHEALDH1A1CYP1A2

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-4262807-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-10-25 EP disclosed
WO-2022132200-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2022-06-23 WO disclosed