SCHEMBL8368586

SCHEMBL8368586

Cc1[nH]nc(-c2ccc(Cl)cc2Cl)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
HSP90AA1 P07900 2/20 0.45
HSP90AB1 P08238 2/20 0.45
HSD11B1 P28845 1/20 0.44
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
CRHR1 P34998 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43

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
SCHEMBL28151206 0.74 HSP90AA1 (0.45) MAPTHSP90AA1HSP90AB1HSD11B1KMT2A
SCHEMBL11378453 0.72 GSK3A (0.48) MAPTHPGDHSP90AA1HSP90AB1KMT2A
SCHEMBL8746755 0.71 MAPT (0.49) MAPTHPGDHSP90AA1HSP90AB1HSD11B1
SCHEMBL28070698 0.71 HSD11B1 (0.47) MAPTHPGDHSP90AA1HSP90AB1HSD11B1
SCHEMBL10769072 0.70 MAPT (0.44) MAPTHPGDHSP90AA1HSP90AB1HSD11B1
SCHEMBL15444885 0.70 HSD11B1 (0.46) MAPTHPGDHSP90AA1HSP90AB1HSD11B1
SCHEMBL10940086 0.70 AKT1 (0.46) MAPTHPGDHSP90AA1HSP90AB1HSD11B1
SCHEMBL29098442 0.69 GUSB (0.51) MAPTHPGDHSP90AA1HSP90AB1HSD11B1
SCHEMBL8368559 0.68 CRHR1 (0.54) MAPTHPGDHSP90AA1HSP90AB1HSD11B1
SCHEMBL10682654 0.68 ALPL (0.58) HSP90AA1HSP90AB1KMT2AMAPK1ALPL

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-1999045007-A1 CRF ANTAGONISTIC PYRAZOLO[4,3-B]PYRIDINES JANSSEN PHARMACEUTICA N.V. (BE) 1999-09-10 WO disclosed