SCHEMBL8640607

SCHEMBL8640607

CSc1ccc(-c2[nH]nc(N)c2-c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.73
NPSR1 Q6W5P4 1/20 0.73
RPS6KA3 P51812 1/20 0.66
AKT2 P31751 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPK14 Q16539 1/20 0.49
ILK Q13418 2/20 0.47
CYP3A4 P08684 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
PTGS2 P35354 2/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41

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
SCHEMBL5820038 0.85 MAPK1 (1.00) MAPK1NPSR1RPS6KA3AKT2KMT2A
SCHEMBL6132022 0.83 MAPK1 (0.80) MAPK1NPSR1RPS6KA3AKT2KMT2A
SCHEMBL6132067 0.80 MAPK1 (0.80) MAPK1NPSR1RPS6KA3AKT2KMT2A
SCHEMBL6132076 0.80 MAPK1 (0.80) MAPK1NPSR1RPS6KA3AKT2KMT2A
SCHEMBL6132080 0.80 MAPK1 (0.80) MAPK1NPSR1RPS6KA3AKT2KMT2A
SCHEMBL6438861 0.78 RPS6KA3 (0.43) MAPK1NPSR1RPS6KA3AKT2KMT2A
SCHEMBL6132051 0.78 MAPK1 (0.83) MAPK1NPSR1RPS6KA3AKT2KMT2A
SCHEMBL8492636 0.77 MAPK1 (0.42) MAPK1NPSR1RPS6KA3AKT2KMT2A
SCHEMBL8188373 0.75 KDM4E (0.48) MAPK1NPSR1RPS6KA3MAPK14ILK
SCHEMBL6441497 0.74 ALDH1A1 (0.53) MAPK1NPSR1RPS6KA3L3MBTL1PTGS2

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
EP-0856000-A1 1,3,5-TRISUBSTITUTED PYRAZOLES FOR TREAMENT OF INFLAMMATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-08-05 EP disclosed
WO-1997013755-A1 1,3,5-TRISUBSTITUTED PYRAZOLES FOR TREAMENT OF INFLAMMATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-17 WO disclosed