SCHEMBL30470833

SCHEMBL30470833

Brc1ccc2sc(C3CC4(CNC4)C3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DYRK1A Q13627 1/20 0.37
ADORA1 P30542 1/20 0.37
LMNA P02545 2/20 0.36
UBE2M P61081 2/20 0.36
DCUN1D1 Q96GG9 2/20 0.36
TP53 P04637 1/20 0.36
PPARA Q07869 2/20 0.34
MAPT P10636 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32

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
SCHEMBL31145099 1.00 NPC1 (0.44) NPC1RAB9AMEN1KMT2ADYRK1A
Trifluoroacetic Acid SCHEMBL25323541 0.89 PPARA (0.42) NPC1RAB9AMEN1KMT2ADYRK1A
SCHEMBL30470569 0.82 DYRK1A (0.39) NPC1RAB9AMEN1KMT2ADYRK1A
SCHEMBL16132861 0.79 NPC1 (0.52) NPC1RAB9AMEN1KMT2ADYRK1A
SCHEMBL25336427 0.79 ADORA1 (0.40) NPC1RAB9AMEN1KMT2ADYRK1A
SCHEMBL25922623 0.79 NPC1 (0.68) NPC1RAB9AMEN1KMT2ADYRK1A
Formaldehyde SCHEMBL25322525 0.79 DYRK1A (0.39) NPC1RAB9ADYRK1AADORA1LMNA
SCHEMBL30470911 0.77 NPC1 (0.42) NPC1RAB9AMEN1KMT2ADYRK1A
SCHEMBL25922452 0.77 NPC1 (0.42) NPC1RAB9AMEN1KMT2ADYRK1A
SCHEMBL25335395 0.77 RAB9A (0.46) NPC1RAB9AMEN1KMT2ADYRK1A

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-4469455-A1 COMPOUNDS AND METHODS OF USE Tango Therapeutics, Inc. (US) 2024-12-04 EP disclosed
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
EP-4188920-A1 PIPERIDIN-1-YL-N-PYRYDINE-3-YL-2-OXOACETAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF MTAP-DEFICIENT AND/OR MTA-ACCUMULATING CANCERS Tango Therapeutics, Inc. (US) 2023-06-07 EP disclosed