SCHEMBL29516234

SCHEMBL29516234

COc1cc2c(cc1Br)C(O)CN(C)C2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 8/20 0.43
▸ HTR2B P41595 6/20 0.43
▸ HTR2A P28223 6/20 0.43
▸ MAOA P21397 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ DRD1 P21728 1/20 0.40
▸ DRD5 P21918 1/20 0.40
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL10955829 0.87 MAOA (0.50) MAOAMAOBSLC6A4MAPTDRD1
SCHEMBL18256785 0.80 SLC6A4 (0.40) HTR2AMAOAMAOBSLC6A4SLC6A2
SCHEMBL11451950 0.74 CYP3A4 (0.60) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL18034982 0.74 SLC6A4 (0.62) SLC6A4DRD1DRD5SLC6A2SLC6A3
SCHEMBL15778994 0.73 SLC6A2 (0.40) HTR2CHTR2BHTR2ASLC6A4DRD1
SCHEMBL18034964 0.72 SLC6A4 (0.63) SLC6A4DRD1DRD5SLC6A2SLC6A3
SCHEMBL29596997 0.72 DRD1 (0.47) MAOASLC6A4MAPTMAPK1DRD1
SCHEMBL1096839 0.71 HTR2C (0.58) HTR2CHTR2BHTR2AMAOAMAOB
SCHEMBL1096838 0.71 HTR2C (0.58) HTR2CHTR2BHTR2AMAOAMAOB
SCHEMBL1901665 0.71 HTR2C (0.58) HTR2CHTR2BHTR2AMAOAMAOB

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-4240363-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 Merck Sharp & Dohme LLC (US) 2023-09-13 — — EP disclosed
WO-2022098806-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME CORP. (US) 2022-05-12 — — WO disclosed
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