SCHEMBL11275736

SCHEMBL11275736

CCOc1nc2cc(-c3ccnc(C)c3)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.45
DYRK1A Q13627 2/20 0.44
MAP4K4 O95819 1/20 0.42
KDM4C Q9H3R0 1/20 0.40
TLR8 Q9NR97 7/20 0.39
TLR7 Q9NYK1 7/20 0.39
TLR9 Q9NR96 5/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
MAPK13 O15264 1/20 0.38
GCGR P47871 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
CLK1 P49759 1/20 0.38
WNT3A P56704 2/20 0.37
MAPK1 P28482 1/20 0.36
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36

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
SCHEMBL11271873 0.89 KDM4C (0.39) ABL1KDM4CTLR8TLR7TLR9
SCHEMBL11271918 0.86 MMP2 (0.49) ABL1KDM4CTLR8TLR7TLR9
Water SCHEMBL11275606 0.84 MMP2 (0.48) ABL1KDM4CTLR8TLR7TLR9
SCHEMBL11271590 0.83 NPC1 (0.46) DYRK1AKDM4CMMP2MMP13MMP14
SCHEMBL11299685 0.82 DDAH1 (0.47) ABL1DYRK1AMAP4K4TLR8TLR7
SCHEMBL11263840 0.80 KDM4C (0.38) KDM4CTLR8TLR7TLR9MMP13
SCHEMBL11270413 0.78 CYP11B2 (0.58) ABL1KDM4CTLR8TLR7MMP2
SCHEMBL11262069 0.78 DYRK1A (0.44) ABL1DYRK1AMAP4K4TLR8TLR7
SCHEMBL11261025 0.78 ABL1 (0.44) ABL1DYRK1AMAP4K4TLR8TLR7
SCHEMBL20436746 0.77 KDM4C (0.43) KDM4CMAPK1

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-0055453-A2 5-(Pyridinyl)-benzimidazole derivatives and preparation STERLING DRUG INC. (US) 1982-07-07 EP disclosed
US-4335132-A 5-(Py-Y)-1H-benzimidazol-2-ols and 5-(Py-Y-)-1H-benzimidazole-2-thiols STERLING DRUG, INC. (US) 1982-06-15 US disclosed