SCHEMBL25319298

SCHEMBL25319298

CC1CCC(c2ccc3ncccc3c2)=NC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ DYRK1A Q13627 1/20 0.44
▸ GSK3B P49841 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ MCL1 Q07820 1/20 0.39

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
SCHEMBL25319291 1.00 NPC1 (0.53) NPC1POLBRAB9ADYRK1AGSK3B
SCHEMBL31578482 1.00 NPC1 (0.53) NPC1POLBRAB9ADYRK1AGSK3B
SCHEMBL30551480 1.00 NPC1 (0.53) NPC1POLBRAB9ADYRK1AGSK3B
SCHEMBL25323632 0.89 GSK3B (0.43) NPC1POLBRAB9AGSK3BALDH1A1
SCHEMBL31578433 0.89 GSK3B (0.43) NPC1POLBRAB9AGSK3BALDH1A1
SCHEMBL25323626 0.89 GSK3B (0.43) NPC1POLBRAB9AGSK3BALDH1A1
SCHEMBL31578497 0.81 MAOA (0.43) NPC1RAB9AGSK3BALDH1A1TSHR
SCHEMBL25320632 0.81 MAOA (0.43) NPC1RAB9AGSK3BALDH1A1TSHR
SCHEMBL25320626 0.81 MAOA (0.43) NPC1RAB9AGSK3BALDH1A1TSHR
SCHEMBL25322498 0.75 CYP1A2 (0.40) CYP1A2ABL1

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-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
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