SCHEMBL29680322

SCHEMBL29680322

CC1(O)CCCN(CO)C1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL3478365 0.83 TSHR (0.35) HRH2HRH1HRH3TSHR
SCHEMBL24662659 0.83 TSHR (0.35) HRH2HRH1HRH3TSHR
SCHEMBL23107027 0.83 TSHR (0.35) HRH2HRH1HRH3TSHR
SCHEMBL14067194 0.80 MEN1 (0.38)
SCHEMBL30598302 0.79 S1PR4 (0.36) HRH2HRH1HRH3
SCHEMBL30598274 0.79 S1PR4 (0.36) HRH2HRH1HRH3
SCHEMBL29646170 0.79 S1PR4 (0.36) HRH2HRH1HRH3
SCHEMBL31733031 0.79 GAA (0.33) TSHR
SCHEMBL3421093 0.78 CYP3A4 (0.42) TSHR
SCHEMBL19799051 0.76 KDM2B (0.42)

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-4262807-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-10-25 EP disclosed
WO-2022132200-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2022-06-23 WO disclosed