SCHEMBL28577811

SCHEMBL28577811

COc1ccc2[nH]nc(C(N)=O)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 3/20 0.60
PRKAA1 Q13131 3/20 0.60
PRKAB1 Q9Y478 3/20 0.60
GSK3B P49841 7/20 0.52
NTRK1 P04629 1/20 0.52
ROCK1 Q13464 1/20 0.50
PRKAB2 O43741 2/20 0.49
PRKAA2 P54646 2/20 0.49
PRKAG3 Q9UGI9 2/20 0.49
PRKAG2 Q9UGJ0 2/20 0.49
FLT3 P36888 2/20 0.48
TTK P33981 1/20 0.48
CDK2 P24941 1/20 0.48
KDM4E B2RXH2 2/20 0.47
RBP4 P02753 1/20 0.47
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46

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
SCHEMBL13069602 0.88 JAK2 (0.51) PRKAG1PRKAA1PRKAB1NTRK1PRKAB2
SCHEMBL17324787 0.86 PRKAG1 (0.62) PRKAG1PRKAA1PRKAB1GSK3BROCK1
SCHEMBL929332 0.86 PRKAG1 (0.79) PRKAG1PRKAA1PRKAB1GSK3BROCK1
SCHEMBL4794844 0.85 KDM4E (0.63) PRKAG1PRKAA1PRKAB1GSK3BROCK1
SCHEMBL17321404 0.82 PRKAG1 (0.58) PRKAG1PRKAA1PRKAB1GSK3BROCK1
SCHEMBL27837474 0.81 NTRK1 (0.44) PRKAG1PRKAA1PRKAB1GSK3BNTRK1
SCHEMBL2436313 0.80 KDM4E (0.55) PRKAG1PRKAA1PRKAB1TTKKDM4E
SCHEMBL16099058 0.80 PRKAG1 (0.55) PRKAG1PRKAA1PRKAB1GSK3BROCK1
SCHEMBL31507475 0.80 KDM4E (0.64) PRKAG1PRKAA1PRKAB1GSK3BKDM4E
SCHEMBL493081 0.80 KDM4E (0.64) PRKAG1PRKAA1PRKAB1GSK3BKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112805282-A Indazole-carboxamide derivatives and uses thereof 广东东阳光药业有限公司 2021-05-14 CN disclosed