SCHEMBL29889574

SCHEMBL29889574

c1cc2nc(N3CCNCC3)ccc2cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 4/20 0.64
HTR3B O95264 4/20 0.64
HTR3A P46098 4/20 0.64
HTR3D Q70Z44 4/20 0.64
HTR3C Q8WXA8 4/20 0.64
CYP3A4 P08684 4/20 0.64
ALDH1A1 P00352 4/20 0.64
KDM4E B2RXH2 3/20 0.64
CYP1A2 P05177 3/20 0.64
HSD17B10 Q99714 3/20 0.64
HTR2C P28335 3/20 0.64
SLC6A4 P31645 2/20 0.64
HTR1A P08908 2/20 0.64
USP2 O75604 1/20 0.64
ADRB1 P08588 1/20 0.64
MAPK1 P28482 1/20 0.64
HTR7 P34969 1/20 0.64
HTT P42858 1/20 0.64
HTR6 P50406 1/20 0.64
PMP22 Q01453 1/20 0.64

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
Hydrochloric Acid SCHEMBL9058023 0.86 HTR3E (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL24394801 0.85 NPC1 (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3550058 0.83 NPC1 (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
Quipazine SCHEMBL322181 0.78 KDM4E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
Quipazine SCHEMBL4062074 0.77 KDM4E (0.97) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL23744763 0.74 PDE10A (0.47) PRKD1
SCHEMBL30345709 0.74 PDE10A (0.47) PRKD1
SCHEMBL5746441 0.73 HTR3A (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5912936 0.73 HTR3A (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15724675 0.73 HTR3A (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C

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-4322945-A2 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2024-02-21 EP disclosed
WO-2022221528-A2 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2022-10-20 WO disclosed