SCHEMBL6829261

SCHEMBL6829261

CC(C)Oc1cc(OCCCN2CCOCC2)cc2nc[nH]c(=O)c12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 11/20 0.53
KDR P35968 9/20 0.53
HRH3 Q9Y5N1 3/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
HTR2A P28223 1/20 0.42
SCN1A P35498 1/20 0.42
HTR2B P41595 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN2A Q99250 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SCN3A Q9NY46 1/20 0.42
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
FGFR1 P11362 1/20 0.41
SYK P43405 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
SCHEMBL6826990 0.95 SRC (0.52) SRCKDRFGFR1SYK
SCHEMBL16742203 0.89 TSHR (0.46) SRCKDRHRH3MAPK1ALDH1A1
SCHEMBL3203162 0.84 SRC (0.43) SRCKDRALDH1A1
SCHEMBL16742200 0.83 SRC (0.53) SRCKDRHRH3FGFR1
SCHEMBL16747710 0.82 PIK3CD (0.43) SRCHRH3MAPK1ALDH1A1CYP1A2
SCHEMBL3204677 0.81 KDR (0.55) SRCKDRSIGMAR1
SCHEMBL16742355 0.80 HRH3 (0.42) SRCHRH3MAPK1ALDH1A1CYP1A2
SCHEMBL6829060 0.80 SRC (0.69) SRCKDR
SCHEMBL18128960 0.79 SRC (0.56) SRCKDRFGFR1
SCHEMBL4292544 0.79 KDM4E (0.37) SRCKDRSYK

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
WO-2004108707-A1 PYRIDAZINIL QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2004-12-16 WO disclosed