SCHEMBL20698149

SCHEMBL20698149

CCn1nc(C)c(-c2ccc(F)cc2Cl)c1-n1cnc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 2/20 0.41
▸ HSD11B1 P28845 2/20 0.40
▸ FGFR1 P11362 2/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ DPP4 P27487 1/20 0.32

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
SCHEMBL20698165 0.86 HSD11B1 (0.44) GRM2HSD11B1FGFR1MAPK1HTT
SCHEMBL20698324 0.84 HSD11B1 (0.40) GRM2HSD11B1FGFR1P2RX7MAPK1
SCHEMBL20697932 0.82 HSD11B1 (0.38) GRM2HSD11B1FGFR1MAPK1RAB9A
SCHEMBL20698322 0.80 HSD11B1 (0.40) GRM2HSD11B1FGFR1MAPK1RAB9A
SCHEMBL20697930 0.78 HSD11B1 (0.41) HSD11B1P2RX7DPP4
SCHEMBL20697928 0.78 HSD11B1 (0.41) HSD11B1FGFR1P2RX7DPP4
SCHEMBL20698135 0.76 HSD11B1 (0.42) GRM2HSD11B1FGFR1MAPK1KMT2A
SCHEMBL21187500 0.75 HSD11B1 (0.43) GRM2HSD11B1FGFR1KMT2AHTT
SCHEMBL20697939 0.75 MAPK1 (0.41) GRM2FGFR1MAPK1HTTPOLB
SCHEMBL20698028 0.75 FGFR1 (0.45) HSD11B1FGFR1MAPK1RAB9AHTT

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
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