SCHEMBL22147376

SCHEMBL22147376

C1=CC2NC(c3ccc(OCCOCCOc4ccc(-c5nc6cc(N7CCCC7)ccc6[nH]5)nc4)cn3)=NC2C=C1N1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 4/20 0.35
RUNX1 Q01196 2/20 0.35
FGFR1 P11362 8/20 0.34
CYP2D6 P10635 1/20 0.31
ACHE P22303 2/20 0.30
DRD2 P14416 3/20 0.30
DRD3 P35462 3/20 0.30
ABL1 P00519 1/20 0.30
BCR P11274 1/20 0.30
FLT1 P17948 1/20 0.30

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
SCHEMBL125213 0.84 CBFB (0.46) CBFBRUNX1FGFR1ACHEDRD2
SCHEMBL22147371 0.73 CBFB (0.43) CBFBRUNX1FGFR1ACHEDRD2
SCHEMBL126325 0.72 CBFB (0.52) CBFBRUNX1FGFR1DRD2DRD3
SCHEMBL19997143 0.71 CBFB (0.35) CBFBRUNX1FGFR1ACHEDRD2
SCHEMBL179150 0.67 CBFB (0.56) CBFBRUNX1FGFR1
SCHEMBL179145 0.67 CBFB (0.56) CBFBRUNX1FGFR1
SCHEMBL12944362 0.67 CBFB (0.44) CBFBFGFR1
SCHEMBL125214 0.67 CBFB (0.53) CBFBRUNX1
SCHEMBL125273 0.67 KCNH2 (0.45) CBFBFGFR1
SCHEMBL125204 0.67 CBFB (0.54) CBFBRUNX1ACHE

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
EP-3670509-A1 INHIBITORS OF INV(16) LEUKEMIA The University of Virginia Patent Foundation (US) 2020-06-24 EP disclosed