SCHEMBL2854476

SCHEMBL2854476

O=C(Nc1ccncc1)c1cnn(-c2ccccn2)c1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 19/20 0.56
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL2860507 0.85 MALT1 (0.53) MALT1SMN1; SMN2
SCHEMBL2850226 0.84 MALT1 (0.56) MALT1
SCHEMBL10364566 0.83 KDM4E (0.52) MALT1KDM4ESMN1; SMN2
SCHEMBL2854006 0.82 NPC1 (0.54) MALT1KDM4EGAASMN1; SMN2
SCHEMBL30147861 0.81 MALT1 (0.73) MALT1
SCHEMBL21604889 0.81 MALT1 (0.73) MALT1
SCHEMBL2854611 0.81 TRPV1 (0.41) MALT1KDM4EGAASMN1; SMN2
SCHEMBL1335647 0.80 MAPT (0.68) MALT1KDM4ESMN1; SMN2
SCHEMBL29419571 0.80 MAPT (0.68) MALT1KDM4ESMN1; SMN2
SCHEMBL2852442 0.80 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