SCHEMBL30730822

SCHEMBL30730822

O=C1CCCN1c1ccc(-c2cncc(-c3cc(Cl)nc4[nH]ncc34)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
NPC1 O15118 1/20 0.40
TNIK Q9UKE5 3/20 0.39
CD38 P28907 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
GRK6 P43250 1/20 0.37
SGK1 O00141 2/20 0.36
IP6K1 Q92551 1/20 0.35
IP6K3 Q96PC2 1/20 0.35
IP6K2 Q9UHH9 1/20 0.35
GAA P10253 1/20 0.35
CYP11B2 P19099 3/20 0.35
PIP4K2A P48426 1/20 0.35

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
SCHEMBL22553760 1.00 PRKAB2 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30730823 0.87 NPC1 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL22554078 0.87 NPC1 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL22554127 0.86 SMN1; SMN2 (0.43) NPC1TNIKCD38CCNCCDK8
SCHEMBL30730783 0.86 SMN1; SMN2 (0.43) NPC1TNIKCD38CCNCCDK8
SCHEMBL22553955 0.84 PIM1 (0.42) NPC1TNIKCD38CCNCCDK8
SCHEMBL22553776 0.83 PRKAB2 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL22553920 0.80 TNIK (0.40) NPC1TNIKCD38CCNCCDK8
SCHEMBL22553876 0.78 CD38 (0.43) NPC1TNIKCD38CCNCCDK8
SCHEMBL30730831 0.78 CD38 (0.43) NPC1TNIKCD38CCNCCDK8

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-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 CN claimed
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 CN disclosed