SCHEMBL25857309

SCHEMBL25857309

CNc1nnc(Cl)c2ccncc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 3/20 0.43
KDR P35968 3/20 0.43
MAPT P10636 7/20 0.42
RAB9A P51151 3/20 0.42
GOT1 P17174 1/20 0.41
LATS1 O95835 1/20 0.41
LATS2 Q9NRM7 1/20 0.41
ALDH1A1 P00352 6/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
HPGD P15428 2/20 0.38
CHUK O15111 1/20 0.37
KDM4E B2RXH2 4/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CASP1 P29466 1/20 0.35
BLM P54132 1/20 0.35
SOD1 P00441 2/20 0.35
LMNA P02545 2/20 0.33
NLRP3 Q96P20 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL24379642 0.86 GOT1 (0.41) FLT1KDRMAPTRAB9AGOT1
SCHEMBL26667326 0.82 GOT1 (0.62) FLT1KDRMAPTRAB9AGOT1
SCHEMBL793650 0.80 IMPDH2 (0.41) FLT1KDRMAPTRAB9AGOT1
SCHEMBL31468033 0.80 IMPDH2 (0.41) FLT1KDRMAPTRAB9AGOT1
SCHEMBL25857264 0.79 LATS1 (0.41) FLT1KDRLATS1LATS2ALDH1A1
SCHEMBL18454567 0.77 GOT1 (0.66) MAPTRAB9AGOT1ALDH1A1SMN1; SMN2
SCHEMBL26118128 0.76 IL1B (0.37) FLT1KDRMAPTRAB9ALATS1
SCHEMBL24574756 0.76 IL1B (0.37) FLT1KDRMAPTRAB9ALATS1
SCHEMBL24379632 0.76 PRKCH (0.39) FLT1KDRMAPTRAB9ALATS1
SCHEMBL25857239 0.76 MAPT (0.35) MAPTRAB9AGOT1ALDH1A1SMN1; SMN2

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-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 WO disclosed