SCHEMBL17487531

SCHEMBL17487531

Cc1cc(Nc2ccc3nc(NCc4ccc(Oc5cnc(Cl)cn5)cc4)n(C)c3c2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 5/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
NTRK1 P04629 3/20 0.39
PAK4 O96013 2/20 0.39
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
IGF1R P08069 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
LTK P29376 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL17488023 0.90 CYP3A4 (0.47) PLK4NPC1RAB9ANTRK1PAK4
SCHEMBL17487528 0.89 PLK4 (0.41) PLK4NPC1RAB9ANTRK1PAK4
SCHEMBL17488243 0.87 PLK4 (0.42) PLK4NPC1RAB9ANTRK1PAK4
SCHEMBL18965934 0.85 GSK3B (0.40) PLK4NPC1RAB9ANTRK1PAK4
SCHEMBL18965308 0.85 DHODH (0.44) PLK4NPC1RAB9ANTRK1KDR
SCHEMBL18965980 0.85 NTRK1 (0.47) PLK4NPC1RAB9ANTRK1PAK4
SCHEMBL17488019 0.83 PLK4 (0.42) PLK4NPC1RAB9ANTRK1PAK4
SCHEMBL18965888 0.82 P2RX3 (0.39) SMN1; SMN2P2RX3
SCHEMBL17487841 0.81 DHODH (0.43) PLK4NPC1RAB9ANTRK1AURKA
SCHEMBL17488030 0.81 PLK4 (0.46) PLK4NPC1RAB9ANTRK1PAK4

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