SCHEMBL24448592

SCHEMBL24448592

CC(C)C(=O)OCC1C2=C(CCC=C2)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
FABP5 Q01469 3/20 0.35
FABP7 O15540 2/20 0.35
EPHX2 P34913 1/20 0.34
CASP3 P42574 2/20 0.33
PIN1 Q13526 1/20 0.33
MDM4 O15151 1/20 0.32
TP53 P04637 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
SCHEMBL10051474 0.88 KMT2A (0.37) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL10076575 0.86 CASP3 (0.41) KMT2AEPHX2CASP3PIN1MDM4
SCHEMBL18949190 0.82 HTR2A (0.31)
SCHEMBL768971 0.78 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL13007532 0.77 HTR2A (0.34)
SCHEMBL23395771 0.77 CASP3 (0.40) KMT2ACASP3PIN1MDM4TP53
SCHEMBL21895802 0.76 TLR2 (0.45) CASP3MDM4TP53
SCHEMBL27256575 0.76 MDM4 (0.42) CASP3MDM4TP53
SCHEMBL22995984 0.76 KMT2A (0.36) KMT2AEPHX2
SCHEMBL26761659 0.76 MDM4 (0.38) CASP3MDM4TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4001269-A1 BENZOISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER Amgen Inc. (US) 2022-05-25 EP disclosed