SCHEMBL22147402

SCHEMBL22147402

CNc1ccc2[nH]c(-c3ccc(OCCOCCOc4ccc(-c5nc6cc(NC)ccc6[nH]5)nc4)cn3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 4/20 0.53
RUNX1 Q01196 3/20 0.43
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
APP P05067 8/20 0.38
FGFR1 P11362 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL179150 0.85 CBFB (0.56) CBFBRUNX1FGFR1NPC1RAB9A
SCHEMBL179144 0.85 CBFB (0.56) CBFBRUNX1FGFR1NPC1RAB9A
SCHEMBL179145 0.85 CBFB (0.56) CBFBRUNX1FGFR1NPC1RAB9A
SCHEMBL125204 0.85 CBFB (0.54) CBFBRUNX1PDE3BPDE3AP2RY12
SCHEMBL15780000 0.84 CBFB (0.53) CBFBRUNX1PDE3BPDE3AP2RY12
SCHEMBL125214 0.82 CBFB (0.53) CBFBRUNX1PDE3BPDE3AP2RY12
SCHEMBL15780005 0.82 CBFB (0.51) CBFBRUNX1PDE3BPDE3AP2RY12
SCHEMBL125224 0.82 CBFB (0.51) CBFBRUNX1APPACHE
SCHEMBL19831263 0.82 CBFB (0.70) CBFBRUNX1
SCHEMBL19831268 0.82 CBFB (0.70) CBFBRUNX1

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