SCHEMBL7538544

SCHEMBL7538544

O=C(NCN1CCOCC1)c1n[nH]c2ccccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.50
HTR1A P08908 8/20 0.49
DRD2 P14416 7/20 0.49
HTR2A P28223 7/20 0.49
WNT1 P04628 2/20 0.48
DYRK1A Q13627 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR2C P28335 2/20 0.46
HRH1 P35367 2/20 0.46
MAPK10 P53779 3/20 0.46
MAPK8 P45983 1/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.44
MAP4K4 O95819 1/20 0.44
NTRK1 P04629 1/20 0.44

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
SCHEMBL7389168 0.81 WNT1 (0.67) HTR1ADRD2HTR2AWNT1DYRK1A
SCHEMBL30068419 0.79 HTR1A (0.74) HTR1ADRD2HTR2AWNT1DYRK1A
SCHEMBL6983693 0.78 HPGD (0.55) SMN1; SMN2KMT2AKDM4ENPC1ALDH1A1
SCHEMBL12123856 0.74 CTNNB1 (0.56) FLT3HTR1ADRD2HTR2AWNT1
SCHEMBL7483755 0.71 MEN1 (0.67) FLT3DYRK1ASMN1; SMN2MEN1KMT2A
SCHEMBL20181949 0.71 FLT3 (0.69) FLT3DRD2MEN1KMT2AMAPK10
SCHEMBL29806029 0.71 FLT3 (0.69) FLT3DRD2MEN1KMT2AMAPK10
SCHEMBL3690336 0.71 KDM4E (0.47) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6667777 0.70 RAB9A (0.55) HTR2AWNT1DYRK1AMEN1KMT2A
SCHEMBL2228237 0.70 ALDH1A1 (0.66) HTR1ADRD2SMN1; SMN2MEN1KMT2A

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-1265873-A2 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 EP disclosed
WO-2001070706-A2 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-09-27 WO disclosed