SCHEMBL30730831

SCHEMBL30730831

O=C1CCCN1c1ccc(-c2cncc(-c3ncnc4[nH]ncc34)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.43
PIP4K2A P48426 2/20 0.40
CYP11B2 P19099 1/20 0.40
NPC1 O15118 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
PIM1 P11309 1/20 0.38
TNIK Q9UKE5 1/20 0.37
KIT P10721 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
RPS6KB1 P23443 2/20 0.36
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
SYK P43405 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
SCHEMBL22553876 1.00 CD38 (0.43) CD38PIP4K2ACYP11B2NPC1CCNC
SCHEMBL22553920 0.84 TNIK (0.40) CD38CYP11B2NPC1CCNCCDK8
SCHEMBL22553955 0.84 PIM1 (0.42) CD38PIP4K2ACYP11B2NPC1CCNC
SCHEMBL22553763 0.83 CD38 (0.41) CD38PIP4K2ACYP11B2NPC1CCNC
SCHEMBL30730822 0.78 PRKAB2 (0.40) CD38PIP4K2ACYP11B2NPC1CCNC
SCHEMBL22553760 0.78 PRKAB2 (0.40) CD38PIP4K2ACYP11B2NPC1CCNC
SCHEMBL22554078 0.77 NPC1 (0.39) CD38NPC1CCNCCDK8PIM1
SCHEMBL30730823 0.77 NPC1 (0.39) CD38NPC1CCNCCDK8PIM1
SCHEMBL22553879 0.77 CCNA2 (0.40) CD38PIP4K2ACYP11B2NPC1CCNC
SCHEMBL22554127 0.76 SMN1; SMN2 (0.43) CD38PIP4K2ACYP11B2NPC1CCNC

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