SCHEMBL2850397

SCHEMBL2850397

O=C(Nc1ccncc1)c1cnn(-c2cccc(F)c2)c1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 11/20 0.57
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MET P08581 1/20 0.50
AXL P30530 1/20 0.50
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
DPP4 P27487 1/20 0.47
BRAF P15056 1/20 0.47

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
SCHEMBL2856272 0.86 MALT1 (0.53) MALT1KDM4EALDH1A1METAXL
SCHEMBL2855950 0.82 POLB (0.41) MALT1KDM4EALDH1A1NPC1RAB9A
SCHEMBL21604788 0.81 MALT1 (0.71) MALT1
SCHEMBL2855512 0.81 MALT1 (0.55) MALT1KDM4EALDH1A1METAXL
SCHEMBL2852336 0.80 SMN1; SMN2 (0.74) KDM4EALDH1A1NPC1RAB9APOLB
SCHEMBL2858127 0.80 ALDH1A1 (0.74) KDM4EALDH1A1NPC1RAB9AMET
SCHEMBL30147306 0.79 MAPT (0.57) KDM4EALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL2849153 0.78 MAPT (0.56) MALT1KDM4EALDH1A1NPC1RAB9A
SCHEMBL2854476 0.78 MALT1 (0.56) MALT1KDM4ESMN1; SMN2
SCHEMBL2850226 0.77 MALT1 (0.56) 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