SCHEMBL7182989

SCHEMBL7182989

CC(=O)OC[C@@H](C)Nc1ncc(C#N)cc1N

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.38
PRKD3 O94806 2/20 0.38
IRAK4 Q9NWZ3 10/20 0.36
MAPK9 P45984 2/20 0.36
ACACB O00763 3/20 0.34
MAP4K4 O95819 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
TNIK Q9UKE5 1/20 0.34
PDPK1 O15530 1/20 0.33
GRM5 P41594 1/20 0.33
VNN1 O95497 1/20 0.33

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
SCHEMBL7183929 0.82 ALDH1A1 (0.42) IRAK4
SCHEMBL7191728 0.79 SMN1; SMN2 (0.43)
SCHEMBL7183015 0.78 KDM4E (0.44) MAPK8PRKD3MAP4K4MINK1TNIK
SCHEMBL7185647 0.78 KDM4E (0.44) MAPK8PRKD3MAP4K4MINK1TNIK
SCHEMBL2714609 0.69 SYK (0.46) IRAK4PDPK1
SCHEMBL24320354 0.69 HTT (0.36) MAPK8PRKD3IRAK4MAPK9PDPK1
SCHEMBL26913615 0.69 HTT (0.36) MAPK8PRKD3IRAK4MAPK9PDPK1
SCHEMBL25887394 0.68 HTT (0.46) MAP4K4PDPK1GRM5
SCHEMBL7187155 0.68 IRAK4 (0.43) IRAK4
SCHEMBL7187159 0.68 IRAK4 (0.43) IRAK4

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
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed