SCHEMBL13134397

SCHEMBL13134397

C=CC(=O)NC(=O)Nc1cnc2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.59
KDM4E B2RXH2 2/20 0.57
HSP90AA1 P07900 1/20 0.57
HSP90AB1 P08238 1/20 0.57
JAK3 P52333 1/20 0.50
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN11 Q06124 1/20 0.43
MAP3K5 Q99683 2/20 0.42
MAP3K7 O43318 1/20 0.42
MAP3K6 O95382 1/20 0.42
ATIC P31939 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RHOA P61586 1/20 0.41

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
SCHEMBL13134249 0.88 KDM4E (0.64) EGFRKDM4EHSP90AA1HSP90AB1JAK3
SCHEMBL31489320 0.88 KDM4E (0.64) EGFRKDM4EHSP90AA1HSP90AB1JAK3
SCHEMBL29186499 0.79 KDM4E (0.68) EGFRKDM4EHSP90AA1HSP90AB1NPC1
SCHEMBL13134396 0.78 RAB9A (0.60) KDM4ENPC1RAB9AALDH1A1POLB
SCHEMBL13134398 0.76 EGFR (0.41) EGFRJAK3NPC1RAB9APOLB
SCHEMBL11525532 0.74 KDM4E (0.54) KDM4EHSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL29432901 0.74 KDM4E (0.69) KDM4EHSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL13134395 0.74 KDM4E (0.51) KDM4ENPC1RAB9AALDH1A1POLB
SCHEMBL8515227 0.73 KDM4E (0.70) KDM4EHSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL13134353 0.73 MEN1 (0.48) EGFRKDM4EHSP90AA1HSP90AB1JAK3

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
US-20100247938-A1 MATERIAL FOR THREE-DIMENSIONAL MODELING, PROCESS FOR PRODUCING THREE-DIMENSIONAL MODEL, AND THREE-DIMENSIONAL MODEL FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed
US-20100247938-A1 MATERIAL FOR THREE-DIMENSIONAL MODELING, PROCESS FOR PRODUCING THREE-DIMENSIONAL MODEL, AND THREE-DIMENSIONAL MODEL FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed