SCHEMBL28076029

SCHEMBL28076029

Brc1ccn(-c2ccccn2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.46
MTOR P42345 2/20 0.43
RPTOR Q8N122 1/20 0.41
MLST8 Q9BVC4 1/20 0.41
ALKBH2 Q6NS38 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GRIA1 P42261 4/20 0.39
CYP1A2 P05177 3/20 0.39
PLD1 Q13393 1/20 0.38
MPO P05164 1/20 0.38
TPO P07202 1/20 0.38
CYP3A4 P08684 1/20 0.38
POLB P06746 1/20 0.37
EP300 Q09472 1/20 0.37
KAT2B Q92831 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 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
SCHEMBL29215038 0.78 RPS6KA5 (0.34) MTORSMN1; SMN2CYP3A4MAPT
SCHEMBL29563483 0.77 MPO (0.46) GRM5MTORRPTORMLST8ALKBH2
SCHEMBL2160327 0.77 MPO (0.46) GRM5MTORRPTORMLST8ALKBH2
SCHEMBL3156955 0.77 GRM5 (0.46) GRM5MTORRPTORMLST8ALKBH2
SCHEMBL38651177 0.77 MAPT (0.63) GRM5MTORRPTORMLST8ALKBH2
SCHEMBL1907360 0.77 MAPT (0.63) GRM5MTORRPTORMLST8ALKBH2
SCHEMBL2643353 0.77 GRM5 (0.46) GRM5MTORRPTORMLST8ALKBH2
SCHEMBL19119928 0.77 GRM5 (0.46) GRM5MTORRPTORMLST8ALKBH2
SCHEMBL8086526 0.77 GRM5 (0.46) GRM5MTORRPTORMLST8ALKBH2
SCHEMBL3463942 0.76 GRM5 (0.55) GRM5MTORRPTORMLST8ALKBH2

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-103947645-B 1-(pyridin-3-yl)-pyrazoles and 1-(pyrimidine-5-base)-pyrazoles as insecticide 拜尔农作物科学股份公司 2016-07-06 CN disclosed