SCHEMBL2852783

SCHEMBL2852783

O=C(Nc1cnc2ccccc2c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 1/20 0.57
MALT1 Q9UDY8 17/20 0.54
KDR P35968 2/20 0.53

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
SCHEMBL2854162 0.89 NPC1 (0.58) MALT1
SCHEMBL2857034 0.84 KDM4E (0.62)
SCHEMBL2854798 0.84 MEN1 (0.47) TMPRSS4MALT1KDR
SCHEMBL2850282 0.81 KDM4E (0.58)
SCHEMBL2855512 0.79 MALT1 (0.55) MALT1
SCHEMBL13513708 0.79 KDM4E (0.53) MALT1
SCHEMBL2852818 0.79 NPC1 (0.50) MALT1
SCHEMBL2856075 0.79 NAMPT (0.56) MALT1
SCHEMBL2860841 0.78 DHODH (0.55)
SCHEMBL2850859 0.78 KEAP1 (0.51) MALT1

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed