Pyrazole

Pyrazole

SCHEMBL28081707

Nc1nc2ccccc2s1.c1cn[nH]c1

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 3/20 0.46
PI4KB Q9UBF8 3/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CD O00329 2/20 0.46
PIK3CG P48736 2/20 0.46
IDO1 P14902 1/20 0.45
MAPT P10636 4/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
TP53 P04637 2/20 0.44
ILK Q13418 3/20 0.43
PIP5K1C O60331 1/20 0.42
GAA P10253 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL29392710 0.82 PI4KA (0.58) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
SCHEMBL75245 0.82 PI4KA (0.58) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
Bromide SCHEMBL10484992 0.81 PI4KA (0.54) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
SCHEMBL9559770 0.80 PI4KA (0.56) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
Water SCHEMBL4365800 0.80 PI4KA (0.56) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
Bromide SCHEMBL28134056 0.80 PI4KA (0.56) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
Hydrogen Sulfide SCHEMBL11608879 0.80 PI4KA (0.56) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
Hydrochloric Acid SCHEMBL9229829 0.80 PI4KA (0.56) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
Water SCHEMBL28456701 0.80 PI4KA (0.56) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
Hydrochloric Acid SCHEMBL27612976 0.80 PI4KA (0.56) PI4KAPI4KBPIK3CAPIK3CDPIK3CG

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-105820596-A Tetrahydroquinoline dye, ink and electrowetting display 深圳市国华光电科技有限公司 2016-08-03 CN disclosed