SCHEMBL22155019

SCHEMBL22155019

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

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 6/20 0.69
SMARCA4 P51532 5/20 0.69
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
MAPT P10636 2/20 0.65
HTT P42858 1/20 0.65
RAB9A P51151 1/20 0.65
KDR P35968 2/20 0.62
ALDH1A1 P00352 2/20 0.59
LMNA P02545 1/20 0.59
NTRK1 P04629 2/20 0.58
CDK19 Q9BWU1 1/20 0.58
BRAF P15056 1/20 0.57
MAPK14 Q16539 1/20 0.57
TNNI3K Q59H18 1/20 0.57
NPC1 O15118 1/20 0.56
GRIK1 P39086 1/20 0.56

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
SCHEMBL5141436 0.90 KMT2A (0.58) SMARCA2SMARCA4KMT2AMEN1MAPT
SCHEMBL3260524 0.85 KDR (0.76) KMT2AMEN1MAPTHTTKDR
SCHEMBL39874 0.84 KCNQ3 (0.70) SMARCA2SMARCA4KMT2AMEN1MAPT
SCHEMBL30101230 0.84 KMT2A (0.90) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL5597699 0.84 KMT2A (0.90) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL5141422 0.82 KMT2A (0.50) SMARCA2SMARCA4KMT2AMEN1MAPT
SCHEMBL5141419 0.82 KMT2A (0.50) SMARCA2SMARCA4KMT2AMEN1MAPT
SCHEMBL4548162 0.82 KMT2A (0.87) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL22125337 0.82 SMARCA2 (0.54) SMARCA2SMARCA4KMT2AMEN1MAPT
SCHEMBL9599834 0.82 SMARCA2 (0.86) SMARCA2SMARCA4KMT2AMEN1MAPT

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-2020126968-A2 UREA DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed