SCHEMBL28560346

SCHEMBL28560346

Nc1ncc(-c2cc[nH]c2)cc1-c1ccc(N2CCCC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 5/20 0.45
FYN P06241 3/20 0.44
TGFBR1 P36897 5/20 0.42
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
ACVR1 Q04771 4/20 0.39
USP7 Q93009 1/20 0.39
ALDH1A1 P00352 1/20 0.39
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
LRRK2 Q5S007 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
SCHEMBL30730821 0.83 CHEK2 (0.54) MAP4K4FYNTGFBR1ACVR1USP7
SCHEMBL22553850 0.83 CHEK2 (0.54) MAP4K4FYNTGFBR1ACVR1USP7
SCHEMBL28559252 0.82 NPC1 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL22553863 0.81 NPC1 (0.48) FYNPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL28560200 0.77 CCNC (0.43) TGFBR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL22554202 0.76 PRKAB2 (0.41) MAP4K4FYNTGFBR1PRKAB2PRKAG1
SCHEMBL30730794 0.76 PRKAB2 (0.41) MAP4K4FYNTGFBR1PRKAB2PRKAG1
SCHEMBL22554034 0.75 BRD4 (0.44) MAP4K4FYNTGFBR1PRKAB2PRKAG1
SCHEMBL22553778 0.75 TGFBR1 (0.36) MAP4K4FYNTGFBR1PRKAB2PRKAG1
SCHEMBL30730809 0.75 TGFBR1 (0.36) MAP4K4FYNTGFBR1PRKAB2PRKAG1

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
CN-112088157-A Aryl-bipyridine amine derivatives as phosphoinositide kinase inhibitors 拉文纳制药公司 2020-12-15 CN claimed
CN-112088157-A Aryl-bipyridine amine derivatives as phosphoinositide kinase inhibitors 拉文纳制药公司 2020-12-15 CN disclosed