SCHEMBL30795451

SCHEMBL30795451

Cc1cc(NCc2cnc(-c3ccccc3)nc2)ccc1NC(=O)CC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.46
POLB P06746 2/20 0.45
ADORA2A P29274 2/20 0.45
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
WNT3A P56704 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 2/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
HPGDS O60760 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2070570 1.00 ADORA1 (0.46) ADORA1POLBADORA2AMAPTHPGD
SCHEMBL30794782 0.80 KCNQ3 (0.48) ADORA1ADORA2A
SCHEMBL2069786 0.80 KCNQ3 (0.48) ADORA1ADORA2A
SCHEMBL2070528 0.76 MAPT (0.43) ADORA1ADORA2AMAPTGAARAB9A
SCHEMBL30795169 0.76 MAPT (0.43) ADORA1ADORA2AMAPTGAARAB9A
SCHEMBL27620864 0.75 GAA (0.52) POLBHPGDGAARAB9AWNT3A
SCHEMBL30796020 0.72 POLB (0.48) POLBMAPTGAAWNT3ASMN1; SMN2
SCHEMBL2072553 0.72 POLB (0.48) POLBMAPTGAAWNT3ASMN1; SMN2
SCHEMBL30795583 0.69 GRN (0.43) MAPTGAAKMT2AALDH1A1PKM
SCHEMBL2071851 0.69 GRN (0.43) MAPTGAAKMT2AALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed