SCHEMBL31489320

SCHEMBL31489320

C=CC(=O)Nc1cnc2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
HSP90AA1 P07900 1/20 0.64
HSP90AB1 P08238 1/20 0.64
EGFR P00533 2/20 0.61
JAK3 P52333 1/20 0.58
PTPN1 P18031 1/20 0.50
PTPN11 Q06124 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
TGM2 P21980 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
ATIC P31939 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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 1.00 KDM4E (0.64) KDM4EHSP90AA1HSP90AB1EGFRJAK3
SCHEMBL13134397 0.88 EGFR (0.59) KDM4EHSP90AA1HSP90AB1EGFRJAK3
SCHEMBL493877 0.79 DEGS1 (0.60) KDM4EHSP90AA1HSP90AB1EGFRNPC1
SCHEMBL493878 0.79 DEGS1 (0.60) KDM4EHSP90AA1HSP90AB1EGFRNPC1
SCHEMBL32681801 0.79 NPC1 (0.59) PTPN1PTPN11NPC1RAB9ATGM2
SCHEMBL20609244 0.79 NPC1 (0.59) PTPN1PTPN11NPC1RAB9ATGM2
SCHEMBL8515227 0.78 KDM4E (0.70) KDM4EHSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL29186499 0.77 KDM4E (0.68) KDM4EHSP90AA1HSP90AB1EGFRNPC1
SCHEMBL13134248 0.76 KDM4E (0.71) KDM4EHSP90AA1HSP90AB1EGFRNPC1
SCHEMBL15140307 0.75 KDM4E (0.71) KDM4EHSP90AA1HSP90AB1EGFRNPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119463012-A PH responsive hydrogel and preparation method and application thereof 中山大学 2025-02-18 CN disclosed