SCHEMBL29601716

SCHEMBL29601716

Cc1ccnc(Nc2nc(-c3ccccn3)cs2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN1 Q92952 2/20 1.00
KCNN2 Q9H2S1 2/20 1.00
KCNN3 Q9UGI6 2/20 1.00
SLC2A1 P11166 4/20 0.97
KMT2A Q03164 12/20 0.73
MEN1 O00255 11/20 0.73
NPC1 O15118 10/20 0.73
RAB9A P51151 9/20 0.73
CASP3 P42574 2/20 0.73
SENP8 Q96LD8 2/20 0.73
SENP7 Q9BQF6 2/20 0.73
SENP6 Q9GZR1 2/20 0.73
MECP2 P51608 1/20 0.72
MBD2 Q9UBB5 1/20 0.72
POLB P06746 3/20 0.67
MAPT P10636 3/20 0.67
NFKB1 P19838 3/20 0.67
NFKB2 Q00653 3/20 0.67
RELA Q04206 3/20 0.67
TDP1 Q9NUW8 2/20 0.67

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
SCHEMBL5157963 1.00 KCNN1 (1.00) KCNN1KCNN2KCNN3SLC2A1KMT2A
SCHEMBL14743426 0.90 KCNN1 (0.82) KCNN1KCNN2KCNN3SLC2A1KMT2A
SCHEMBL29497622 0.90 KCNN1 (0.82) KCNN1KCNN2KCNN3SLC2A1KMT2A
SCHEMBL5173768 0.89 KCNN1 (0.80) KCNN1KCNN2KCNN3SLC2A1KMT2A
SCHEMBL29601174 0.89 KCNN1 (0.80) KCNN1KCNN2KCNN3SLC2A1KMT2A
SCHEMBL24358078 0.86 KCNN1 (0.76) KCNN1KCNN2KCNN3SLC2A1KMT2A
SCHEMBL24358084 0.86 MEN1 (0.80) KCNN1KCNN2KCNN3SLC2A1KMT2A
SCHEMBL6368980 0.86 KCNN1 (0.75) KCNN1KCNN2KCNN3SLC2A1KMT2A
SCHEMBL24357992 0.86 KCNN1 (0.75) KCNN1KCNN2KCNN3SLC2A1KMT2A
SCHEMBL30745697 0.86 KCNN1 (0.75) KCNN1KCNN2KCNN3SLC2A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4232449-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES Celgene Corporation (US) 2023-08-30 EP disclosed
WO-2022087326-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION (US) 2022-04-28 WO disclosed