SCHEMBL319166

SCHEMBL319166

Nc1cccc(-c2nccnc2C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
MAOA P21397 1/20 0.44
MAP4K4 O95819 4/20 0.42
AXL P30530 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
PLK4 O00444 1/20 0.42
EGFR P00533 1/20 0.42
ROS1 P08922 1/20 0.42
PIM1 P11309 1/20 0.42
FLT3 P36888 1/20 0.42
FRK P42685 1/20 0.42
MAP4K2 Q12851 1/20 0.42
NTRK3 Q16288 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
AURKB Q96GD4 1/20 0.42
HIPK2 Q9H2X6 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
STK17A Q9UEE5 1/20 0.42

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
SCHEMBL1340669 0.81 KDM4E (0.53) KDM4EALDH1A1MAPTCYP3A4ALOX15
SCHEMBL2057011 0.81 KMO (0.52) MEN1KDM4EALDH1A1MAPTKMT2A
SCHEMBL10419666 0.78 KDM4E (0.50) KDM4EALDH1A1MAPTCYP3A4ALOX15
SCHEMBL25779251 0.77 PIN1 (0.53)
SCHEMBL1965244 0.77 PIN1 (0.54) CSNK2A2CSNK2BKDM4EALDH1A1MAPT
SCHEMBL3345499 0.77 KMO (0.56) MEN1KDM4EALDH1A1CYP3A4ATM
SCHEMBL25779250 0.73 MKNK1 (0.53) MKNK2PIM1MKNK1KDM4EALDH1A1
SCHEMBL27580202 0.73 MAP4K4 (0.47) MAOAMAP4K4AXLMKNK2MEN1
SCHEMBL984761 0.72 MCL1 (0.46) MCL1AURKBMEN1KDM4EALDH1A1
SCHEMBL27634866 0.72 ADRB2 (0.44) KDM4EALDH1A1MAPTCYP3A4ALOX15

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-2590968-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS Novartis AG (CH) 2013-05-15 EP disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 WO disclosed