SCHEMBL2854040

SCHEMBL2854040

O=C(NC(c1ccccn1)c1ccccn1)c1cnn(-c2ncccn2)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MALT1 Q9UDY8 14/20 0.41
KMT2A Q03164 1/20 0.39

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
SCHEMBL2850157 0.90 KDM4E (0.47) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2860428 0.86 KDM4E (0.52) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2855560 0.84 ALDH1A1 (0.49) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2855566 0.84 MALT1 (0.44) KDM4EALDH1A1MAPTMALT1
SCHEMBL2854514 0.81 CNR2 (0.35) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2294498 0.75 MAPT (0.66) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL31007090 0.73 MAPT (0.49) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL30147290 0.73 MAPT (0.49) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2855927 0.73 MALT1 (0.57) MALT1
SCHEMBL2860499 0.72 RAB9A (0.35) KDM4EALDH1A1MAPTPOLBSMN1; 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 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