SCHEMBL30730864

SCHEMBL30730864

Nc1ncc(-c2c[nH]c3ncc(Cl)cc23)cc1-c1ccc(N2CCCC2=O)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.43
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
DYRK1A Q13627 3/20 0.38
DYRK1B Q9Y463 3/20 0.38
KIT P10721 2/20 0.37
MAPK1 P28482 3/20 0.37
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
F10 P00742 2/20 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
SCHEMBL22553739 1.00 JAK2 (0.43) JAK2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL22553811 0.81 JAK2 (0.46) JAK2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL22554275 0.73 NPC1 (0.44)
SCHEMBL30731090 0.73 NPC1 (0.44)
SCHEMBL30731017 0.73 NPC1 (0.44)
SCHEMBL22553917 0.72 ALOX5AP (0.41) PIM1PIM3PIM2CNR2
SCHEMBL30730773 0.72 ALOX5AP (0.41) PIM1PIM3PIM2CNR2
SCHEMBL22553813 0.71 CNR2 (0.38) CNR2
SCHEMBL30730848 0.71 CNR2 (0.38) CNR2
SCHEMBL22554202 0.70 PRKAB2 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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