SCHEMBL19997116

SCHEMBL19997116

O=NCc1ccc2[nH]c(-c3ccccn3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 7/20 0.57
METAP2 P50579 7/20 0.57
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
PKM P14618 4/20 0.57
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HPGD P15428 2/20 0.57
MTOR P42345 1/20 0.57
KDM4E B2RXH2 3/20 0.57
MAPT P10636 3/20 0.57
KMT2A Q03164 1/20 0.57
CBFB Q13951 13/20 0.56
NPSR1 Q6W5P4 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL29994214 0.83 METAP2 (0.61) METAP1METAP2NPC1RAB9APKM
SCHEMBL32660737 0.83 CBFB (0.80) METAP1METAP2NPC1RAB9APKM
SCHEMBL125118 0.83 CBFB (0.80) METAP1METAP2NPC1RAB9APKM
SCHEMBL124343 0.83 CBFB (0.80) METAP1METAP2NPC1RAB9APKM
SCHEMBL13675150 0.83 CBFB (0.62) METAP1METAP2NPC1RAB9APKM
SCHEMBL23704308 0.83 METAP2 (0.61) METAP1METAP2NPC1RAB9APKM
SCHEMBL17525961 0.82 METAP2 (0.60) METAP1METAP2NPC1RAB9APKM
SCHEMBL19970738 0.81 CBFB (0.58) METAP1METAP2NPC1RAB9APKM
SCHEMBL6616899 0.80 CBFB (0.60) METAP1METAP2NPC1RAB9APKM
SCHEMBL124197 0.78 CBFB (0.78) METAP1METAP2NPC1RAB9APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3670509-B1 INHIBITORS OF INV(16) LEUKEMIA UNIV VIRGINIA PATENT FOUNDATION (US) 2023-04-19 EP disclosed
EP-3670509-A1 INHIBITORS OF INV(16) LEUKEMIA The University of Virginia Patent Foundation (US) 2020-06-24 EP disclosed
US-9926290-B2 Inhibitors of INV(16) leukemia UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2018-03-27 US disclosed