SCHEMBL23065786

SCHEMBL23065786

O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccnc(Cl)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.59
MAPT P10636 3/20 0.59
HTT P42858 1/20 0.59
RAB9A P51151 1/20 0.59
TRPV1 Q8NER1 2/20 0.58
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
KDR P35968 3/20 0.57
MAPK1 P28482 1/20 0.57
NTRK1 P04629 2/20 0.54
CDK19 Q9BWU1 1/20 0.54
BRAF P15056 2/20 0.53
MAPK14 Q16539 2/20 0.53
TNNI3K Q59H18 2/20 0.53
NPC1 O15118 1/20 0.52
GRIK1 P39086 1/20 0.52
RIPK1 Q13546 1/20 0.52
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL22155019 0.82 SMARCA2 (0.69) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL4733237 0.81 KMT2A (0.54) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL17059591 0.81 DDX3X (0.60) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL17664185 0.80 KDR (0.67) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL5597699 0.80 KMT2A (0.90) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL30101230 0.80 KMT2A (0.90) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL1464168 0.80 KMT2A (0.69) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL4733239 0.80 KDR (0.54) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL4548162 0.78 KMT2A (0.87) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL17059588 0.78 EGFR (0.61) KDRBRAF

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
WO-2021042022-A1 SEPTIN INHIBITORS FOR TREATMENT OF CANCERS UNIVERSITY OF ROCHESTER (US) 2021-03-04 WO disclosed