SCHEMBL25323626

SCHEMBL25323626

C[C@H]1CCC(c2ccc3cccnc3c2)=NC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPK14 Q16539 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CHRNA7 P36544 1/20 0.37
▸ DDB1 Q16531 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ OGA O60502 2/20 0.36
▸ PDGFRB P09619 1/20 0.35
▸ PDGFRA P16234 1/20 0.35

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
SCHEMBL31578433 1.00 GSK3B (0.43) GSK3BALDH1A1MAPK14MEN1CASP1
SCHEMBL25323632 1.00 GSK3B (0.43) GSK3BALDH1A1MAPK14MEN1CASP1
SCHEMBL30551480 0.89 NPC1 (0.53) GSK3BALDH1A1CASP1CYP1A2CYP2C19
SCHEMBL31578482 0.89 NPC1 (0.53) GSK3BALDH1A1CASP1CYP1A2CYP2C19
SCHEMBL25319298 0.89 NPC1 (0.53) GSK3BALDH1A1CASP1CYP1A2CYP2C19
SCHEMBL25319291 0.89 NPC1 (0.53) GSK3BALDH1A1CASP1CYP1A2CYP2C19
SCHEMBL31578497 0.81 MAOA (0.43) GSK3BALDH1A1CYP1A2NPC1RAB9A
SCHEMBL25320626 0.81 MAOA (0.43) GSK3BALDH1A1CYP1A2NPC1RAB9A
SCHEMBL25320632 0.81 MAOA (0.43) GSK3BALDH1A1CYP1A2NPC1RAB9A
SCHEMBL25322585 0.81 CYP1A2 (0.41) CYP1A2

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
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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