SCHEMBL30730852

SCHEMBL30730852

O=C1CCCN1c1ccc(-c2cncc(-c3ccnc4cn[nH]c34)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.39
NPC1 O15118 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
CYP11B2 P19099 3/20 0.38
PIM1 P11309 2/20 0.38
IP6K1 Q92551 1/20 0.36
IP6K3 Q96PC2 1/20 0.36
IP6K2 Q9UHH9 1/20 0.36
GAA P10253 1/20 0.36
GRK6 P43250 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP11B1 P15538 2/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 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
SCHEMBL22553788 1.00 CD38 (0.39) CD38NPC1CCNCCDK8CYP11B2
SCHEMBL22553955 0.84 PIM1 (0.42) CD38NPC1CCNCCDK8CYP11B2
SCHEMBL22553843 0.82 CD38 (0.39) CD38NPC1CCNCCDK8CYP11B2
SCHEMBL30730815 0.82 CD38 (0.39) CD38NPC1CCNCCDK8CYP11B2
SCHEMBL22554254 0.79 PRKAB2 (0.41) CD38NPC1CCNCCDK8CYP11B2
SCHEMBL22553750 0.79 CYP11B2 (0.39) CD38NPC1CCNCCDK8CYP11B2
SCHEMBL22554295 0.78 BRD4 (0.48) CD38NPC1CCNCCDK8PIM1
SCHEMBL30730803 0.78 SMN1; SMN2 (0.41) CD38NPC1CCNCCDK8CYP11B2
SCHEMBL22553771 0.78 PIP4K2A (0.40) CD38NPC1CCNCCDK8CYP11B2
SCHEMBL22553899 0.78 NUDT1 (0.46) CD38NPC1CDK8PRKAA1

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