SCHEMBL29756294

SCHEMBL29756294

Cc1nccc2c1[nH]c1c(-c3ccc(OCCn4cccn4)cc3)cc(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
MAOA P21397 14/20 0.44
MCL1 Q07820 1/20 0.41
DYRK1A Q13627 4/20 0.39
KDM4E B2RXH2 1/20 0.36
DYRK3 O43781 1/20 0.36
CCNT1 O60563 1/20 0.36
CCNB2 O95067 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CDK1 P06493 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 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
SCHEMBL20122732 1.00 PRKAB2 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20123014 0.89 PRKAB2 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30664159 0.89 PRKAB2 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20122819 0.85 PRKAB2 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29756311 0.85 KDM4E (0.48) MAOAKDM4EALDH1A1
SCHEMBL20122954 0.85 KDM4E (0.48) MAOAKDM4EALDH1A1
SCHEMBL20122733 0.85 MAOA (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30664264 0.83 MAOA (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20122951 0.83 MAOA (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30664332 0.81 MAOA (0.61) MAOADYRK1AKDM4EDYRK3CCNT1

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-110382496-B Substituted pyrido [3,4-b ] indoles for the treatment of cartilage disorders 赛诺菲 2022-08-09 CN claimed
CN-110382496-B Substituted pyrido [3,4-b ] indoles for the treatment of cartilage disorders 赛诺菲 2022-08-09 CN disclosed