SCHEMBL6004853

SCHEMBL6004853

COc1cc2c(Cl)ccnc2cc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.53
CSF1R P07333 5/20 0.50
KDR P35968 3/20 0.50
AURKB Q96GD4 3/20 0.50
AURKA O14965 2/20 0.50
MET P08581 2/20 0.50
TEK Q02763 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ABL1 P00519 2/20 0.48
RIPK2 O43353 1/20 0.48
ERN1 O75460 1/20 0.48
STK10 O94804 1/20 0.48
MAP3K6 O95382 1/20 0.48
ESR1 P03372 1/20 0.48
RET P07949 1/20 0.48
PDGFRB P09619 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
KIT P10721 1/20 0.48
BCR P11274 1/20 0.48
FGFR1 P11362 1/20 0.48

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
SCHEMBL1323767 0.94 KDR (0.56) IRAK4CSF1RKDRAURKBAURKA
SCHEMBL31218187 0.94 KDR (0.56) IRAK4CSF1RKDRAURKBAURKA
SCHEMBL6004313 0.86 GAA (0.51) KDRKDM4EFGFR1PDGFRA
SCHEMBL17137547 0.85 IRAK4 (0.65) IRAK4
SCHEMBL2174075 0.84 KDR (0.50) KDRAURKBAURKAMETTEK
Methylamine SCHEMBL22505658 0.82 AXL (0.49) KDRAURKBAURKAMETTEK
SCHEMBL1891155 0.82 SRC (0.44) KDRAURKBAURKAMETTEK
SCHEMBL1132245 0.82 AXL (0.51) METKDM4E
SCHEMBL27104752 0.81 IRAK4 (0.51) IRAK4CSF1RKDRAURKBAURKA
SCHEMBL22505587 0.81 AXL (0.53) IRAK4CSF1RKDRAURKBAURKA

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-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed