SCHEMBL20680745

SCHEMBL20680745

Cc1nn(C)c(-n2cnc3ccccc32)c1Br

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
HTT P42858 4/20 0.46
POLB P06746 1/20 0.43
FGFR1 P11362 4/20 0.42
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL20698012 0.81 FGFR1 (0.37) FGFR1ALDH1A1
SCHEMBL963024 0.79 FGFR1 (0.46) MAPK1HTTPOLBFGFR1KDM4E
SCHEMBL20697938 0.78 MAPK1 (0.46) MAPK1HTTPOLBFGFR1TDP1
SCHEMBL20698292 0.76 MAPK1 (0.44) MAPK1HTTPOLBFGFR1ALDH1A1
SCHEMBL20698021 0.74 TNF (0.43) MAPK1HTTPOLBFGFR1KDM4E
SCHEMBL965352 0.73 ALDH1A1 (0.49) MAPK1HTTFGFR1ALDH1A1GAA
SCHEMBL20697937 0.73 PDE2A (0.42) MAPK1HTTPOLBFGFR1GAA
SCHEMBL965353 0.73 ALDH1A1 (0.49) MAPK1HTTFGFR1ALDH1A1GAA
SCHEMBL20698032 0.72 MAPK1 (0.46) MAPK1HTTPOLBFGFR1KDM4E
SCHEMBL20697939 0.72 MAPK1 (0.41) MAPK1HTTPOLBFGFR1

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