SCHEMBL20698292

SCHEMBL20698292

Cc1nn(C)c(-n2cnc3ccccc32)c1-c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
HSD11B1 P28845 3/20 0.40
HTT P42858 2/20 0.40
FGFR1 P11362 2/20 0.40
PDE2A O00408 1/20 0.39
PDE10A Q9Y233 1/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
DPP4 P27487 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL20697937 0.92 PDE2A (0.42) MAPK1HSD11B1HTTFGFR1PDE2A
SCHEMBL20698028 0.88 FGFR1 (0.45) MAPK1HSD11B1HTTFGFR1LMNA
SCHEMBL20697938 0.87 MAPK1 (0.46) MAPK1HTTFGFR1LMNAPOLB
SCHEMBL20698165 0.86 HSD11B1 (0.44) MAPK1HSD11B1HTTFGFR1PDE2A
SCHEMBL20698030 0.84 FGFR1 (0.48) MAPK1HTTFGFR1PDE2APDE10A
SCHEMBL20698032 0.81 MAPK1 (0.46) MAPK1HTTFGFR1POLBALDH1A1
SCHEMBL20698021 0.81 TNF (0.43) MAPK1HTTFGFR1LMNAPOLB
SCHEMBL20698027 0.79 DPP4 (0.40) HSD11B1PDE2APDE10ADPP4
SCHEMBL20697939 0.79 MAPK1 (0.41) MAPK1HTTFGFR1POLBDPP4
SCHEMBL20680745 0.76 MAPK1 (0.47) MAPK1HTTFGFR1POLBGAA

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-2019020981-A1 PYRAZOLE, ISOTHIAZOLE AND ISOXAZOLE DERIVATIVES USEFUL AS AGRICULTURAL FUNGICIDES REDAG CROP PROTECTION LTD. (GB) 2019-01-31 WO disclosed