SCHEMBL21863282

SCHEMBL21863282

Cc1ncn(-c2cccc(F)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.47
RXRA P19793 5/20 0.42
GRIN1 Q05586 5/20 0.42
GRIN2B Q13224 5/20 0.42
NOTUM Q6P988 2/20 0.42
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
ACHE P22303 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 1/20 0.39
F9 P00740 2/20 0.38
F10 P00742 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL16202014 0.82 ALDH1A1 (0.45) RXRAGRIN1GRIN2BMGLLACHE
SCHEMBL20260648 0.82 KAT7 (0.35) F9F10CYP2C8CYP2D6CYP2C9
SCHEMBL16202012 0.79 NOTUM (0.47) NOTUMMGLLKMT2A
SCHEMBL7127572 0.79 MAPT (0.49) KMT2A
SCHEMBL30186345 0.79 FGFR1 (0.44) ACHEKMT2A
SCHEMBL18278129 0.79 KEAP1 (0.47) KEAP1RXRAGRIN1GRIN2BNOTUM
SCHEMBL18278660 0.79 KEAP1 (0.47) KEAP1RXRAGRIN1GRIN2BNOTUM
SCHEMBL10360328 0.79 KEAP1 (0.47) KEAP1RXRAGRIN1GRIN2BNOTUM
SCHEMBL23976857 0.79 KEAP1 (0.47) KEAP1RXRAGRIN1GRIN2BNOTUM
SCHEMBL21849281 0.79 KEAP1 (0.44) KEAP1RXRAGRIN1GRIN2BNOTUM

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-2020065614-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed