SCHEMBL31003151

SCHEMBL31003151

CCc1nc2cc(Br)ccc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
GAA P10253 2/20 0.63
MAPK1 P28482 1/20 0.63
DYRK1A Q13627 1/20 0.49
TRPV1 Q8NER1 2/20 0.45
PPARA Q07869 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
KAT8 Q9H7Z6 1/20 0.42
AKR1B1 P15121 2/20 0.42
HDAC6 Q9UBN7 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ADORA1 P30542 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41

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
SCHEMBL2947099 1.00 NPC1 (0.63) NPC1RAB9AGAAMAPK1DYRK1A
SCHEMBL5946247 0.86 DYRK1A (0.47) NPC1RAB9AGAAMAPK1DYRK1A
SCHEMBL6273815 0.86 RAB9A (0.63) NPC1RAB9AGAAMAPK1DYRK1A
SCHEMBL31003075 0.86 RAB9A (0.63) NPC1RAB9AGAAMAPK1DYRK1A
SCHEMBL201370 0.84 DYRK1A (0.46) NPC1RAB9AGAAMAPK1DYRK1A
SCHEMBL29081761 0.82 HDAC6 (0.46) NPC1RAB9AGAAMAPK1DYRK1A
SCHEMBL9675635 0.82 LOXL2 (0.47) NPC1RAB9AGAAMAPK1DYRK1A
SCHEMBL3247063 0.82 LOXL2 (0.65) NPC1RAB9AGAAMAPK1DYRK1A
SCHEMBL29347390 0.81 NPC1 (0.47) NPC1RAB9AGAAMAPK1DYRK1A
SCHEMBL25922860 0.81 DYRK1A (0.46) NPC1RAB9AGAAMAPK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658650-A1 HETEROCYCLIC COMPOUNDS Beone Medicines I GmbH (CH) 2025-12-10 EP disclosed
EP-4658656-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES Beone Medicines I GmbH (CH) 2025-12-10 EP disclosed
WO-2024160277-A1 HETEROCYCLIC COMPOUNDS BEIGENE, LTD. (KY) 2024-08-08 WO disclosed
WO-2024160276-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEIGENE, LTD. (KY) 2024-08-08 WO disclosed