SCHEMBL29620016

SCHEMBL29620016

O=C1N(c2ccc(Br)cc2)C[C@@H]2CNCCN12

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 18/20 0.39
HTR2B P41595 18/20 0.39
HTR2A P28223 16/20 0.39
RXFP1 Q9HBX9 1/20 0.36

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 SCHEMBL3604267 0.84 HTR2C (0.49) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL3609733 0.84 HTR2C (0.49) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL3601864 0.83 ALDH1A1 (0.40) HTR2CHTR2BHTR2A
SCHEMBL21413824 0.82 ALDH1A1 (0.44) HTR2CHTR2BHTR2A
SCHEMBL17062498 0.82 ALDH1A1 (0.44) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL3610737 0.81 HTR2C (0.49) HTR2CHTR2BHTR2A
SCHEMBL20941498 0.81 L3MBTL1 (0.42) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL3608045 0.81 KHK (0.42) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL3602379 0.80 HTR2C (0.38) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL22390476 0.80 ALDH1A1 (0.41) HTR2CHTR2BHTR2A

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-4240741-A1 IMIDAZO[4,5-C]QUINOLINE COMPOUNDS AND THEIR USE AS ATM KINASE INHIBITORS Deutsches Krebsforschungszentrum (DE) 2023-09-13 EP disclosed
WO-2022096361-A1 IMIDAZO[4,5-C]QUINOLINE COMPOUNDS AND THEIR USE AS ATM KINASE INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2022-05-12 WO disclosed