SCHEMBL17488274

SCHEMBL17488274

CCC(Nc1nc2ccc(NC3COC3)cc2[nH]1)c1ccc(Oc2ncc(Cl)cn2)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.34
RIPK1 Q13546 1/20 0.33
KDR P35968 5/20 0.33
TEK Q02763 3/20 0.33
POLB P06746 1/20 0.32
ABL1 P00519 1/20 0.31
CSNK1A1 P48729 1/20 0.30
CSNK1D P48730 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL17488096 0.82 RAB9A (0.42) RAF1RIPK1KDRTEKPOLB
SCHEMBL18965789 0.82 ATP1A1 (0.35)
SCHEMBL17488338 0.82 SCN9A (0.44) KDRTEK
SCHEMBL17488324 0.80 IGF1R (0.44)
SCHEMBL17488003 0.80 SCN9A (0.37) RAF1RIPK1KDRTEK
SCHEMBL17487839 0.77 RAB9A (0.33) RAF1RIPK1KDRTEKPOLB
SCHEMBL17487817 0.77 RIPK1 (0.34) RIPK1KDRTEKPOLBLMNA
SCHEMBL17487481 0.74 RAB9A (0.39) RAF1RIPK1KDRTEKLMNA
SCHEMBL17488236 0.74 RAB9A (0.42) KDRTEKPOLBCSNK1A1CSNK1D
SCHEMBL17488301 0.73 CYP3A4 (0.39)

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-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO disclosed