SCHEMBL24536622

SCHEMBL24536622

C=C1CCCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
ESR2 Q92731 1/20 0.46
NR1H2 P55055 2/20 0.45
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADORA1 P30542 2/20 0.42
MAPK1 P28482 1/20 0.42
PREP P48147 2/20 0.40
EPHX1 P07099 1/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39

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
SCHEMBL16925538 0.98 HPGD (0.50) HPGDESR2NR1H2USP2SMN1; SMN2
SCHEMBL893656 0.95 ESR2 (0.47) HPGDESR2NR1H2USP2SMN1; SMN2
SCHEMBL1063509 0.88 ESR2 (0.52) HPGDESR2NR1H2USP2SMN1; SMN2
SCHEMBL21876055 0.84 USP2 (0.50) HPGDESR2NR1H2USP2SMN1; SMN2
SCHEMBL1336913 0.82 HPGD (0.49) HPGDESR2NR1H2USP2SMN1; SMN2
SCHEMBL689236 0.82 HPGD (0.49) HPGDESR2NR1H2USP2SMN1; SMN2
SCHEMBL10053997 0.82 HPGD (0.47) HPGDNR1H2USP2SMN1; SMN2MEN1
SCHEMBL1488353 0.81 USP2 (0.48) HPGDESR2NR1H2USP2SMN1; SMN2
SCHEMBL30707004 0.81 HPGD (0.51) HPGDESR2NR1H2USP2SMN1; SMN2
SCHEMBL18084854 0.79 USP2 (0.50) HPGDESR2NR1H2USP2SMN1; SMN2

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