SCHEMBL21777116

SCHEMBL21777116

CSc1nc2c(c(OS(=O)(=O)C(F)(F)F)n1)CCCN(C(=O)O)C2

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.36
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL19617362 0.94 KMT2A (0.34) KMT2AGAAHTTCYP1A2CYP2C19
SCHEMBL21777078 0.89 CCNA2 (0.37) KMT2AGAAHTT
SCHEMBL30421713 0.84 TMEM97 (0.41) KMT2AGAA
SCHEMBL30421340 0.84 TMEM97 (0.41) KMT2AGAA
SCHEMBL19617493 0.82 PARP1 (0.40) KMT2A
SCHEMBL26010448 0.81 KMT2A (0.36) KMT2AGAACYP1A2CYP2C19
SCHEMBL21315024 0.81
SCHEMBL28503146 0.79 KMT2A (0.31) KMT2AGAACYP1A2CYP2C19
SCHEMBL28535555 0.78 C5AR1 (0.41) KMT2AGAAHTTCYP1A2
SCHEMBL4192572 0.78 CCNA2 (0.39) KMT2ACYP1A2CYP2C19

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-3844151-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2021-07-07 EP disclosed
WO-2020047192-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-03-05 WO disclosed