SCHEMBL30730850

SCHEMBL30730850

O=C1CCCN1c1ccc(-c2cncc(-c3c[nH]c4ncncc34)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.45
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
NPC1 O15118 1/20 0.41
PIP4K2A P48426 2/20 0.40
CYP11B2 P19099 1/20 0.40
NTRK1 P04629 3/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
DYRK1A Q13627 4/20 0.37
DYRK1B Q9Y463 3/20 0.37
CLK1 P49759 2/20 0.37
DYRK2 Q92630 2/20 0.37
KIT P10721 1/20 0.37

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
SCHEMBL22553858 1.00 CD38 (0.45) CD38PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL22553948 0.87 CAMKK2 (0.45) CD38PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL22553811 0.86 JAK2 (0.46) CD38PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL22553799 0.86 CD38 (0.42) CD38PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL22570987 0.84 DYRK1A (0.39) CD38PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL22553722 0.82 MAP4K1 (0.40) CD38PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL22553926 0.81 ROCK2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL22554043 0.81 MAP4K1 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL22553899 0.80 NUDT1 (0.46) CD38PRKAA1NPC1DYRK1ADYRK1B
SCHEMBL22554254 0.79 PRKAB2 (0.41) CD38PRKAB2PRKAG1PRKAA2PRKAA1

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