SCHEMBL22490331

SCHEMBL22490331

Cc1ccc(-c2cc(C(=O)Nc3ccon3)ccc2C)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.61
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 2/20 0.50
LCK P06239 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
TSHR P16473 1/20 0.48
ABL1 P00519 1/20 0.47
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
DYRK3 O43781 1/20 0.45
CSF1R P07333 1/20 0.45
LYN P07948 1/20 0.45
KIT P10721 1/20 0.45
FRK P42685 1/20 0.45

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
SCHEMBL22490365 0.82 MAPK14 (0.52) MAPK14ALDH1A1SMN1; SMN2HPGDLCK
SCHEMBL22490204 0.81 SMN1; SMN2 (0.50) MAPK14ALDH1A1SMN1; SMN2HPGDLCK
SCHEMBL10043911 0.77 MAPK14 (0.62) MAPK14ALDH1A1SMN1; SMN2HPGDLCK
SCHEMBL22468550 0.76 SMN1; SMN2 (0.58) MAPK14ALDH1A1SMN1; SMN2HPGDLCK
SCHEMBL5070509 0.76 SMN1; SMN2 (0.58) MAPK14ALDH1A1SMN1; SMN2HPGDLCK
SCHEMBL29477055 0.76 SMN1; SMN2 (0.58) MAPK14ALDH1A1SMN1; SMN2HPGDLCK
SCHEMBL1233477 0.76 SMN1; SMN2 (0.58) MAPK14ALDH1A1SMN1; SMN2HPGDLCK
SCHEMBL2074433 0.76 MAPK14 (1.00) MAPK14
SCHEMBL1406122 0.75 MAPK14 (0.51) MAPK14ALDH1A1HPGDLCKMEN1
SCHEMBL29476868 0.74 MAPK14 (0.45) MAPK14ALDH1A1HPGDLCKMEN1

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
WO-2020198053-A1 2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-4-METHYLBENZAMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS RIPK2 INHIBITORS FOR TREATING E.G. AUTOIMMUNE DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-01 WO disclosed