SCHEMBL31458950

SCHEMBL31458950

CC(=O)c1cc2c(c(C(F)(F)F)c1)CN(C(=O)OC(C)(C)C)C2=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
KMT2A Q03164 1/20 0.34
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
CBLB Q13191 4/20 0.33
GPR119 Q8TDV5 2/20 0.33
AR P10275 3/20 0.32
BUB1 O43683 1/20 0.32
NOTUM Q6P988 1/20 0.32
EPHX2 P34913 1/20 0.31
KIF11 P52732 1/20 0.31
NPC1 O15118 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL31458984 0.81 CBLB (0.43) PIK3CAMTORCBLBGPR119AR
SCHEMBL31458916 0.74 CBLB (0.48) CBLBARBUB1EPHX2
SCHEMBL31459159 0.72 PREP (0.31)
SCHEMBL31458849 0.71 CBLB (0.36) CBLB
SCHEMBL31458941 0.71 CBLB (0.39) CBLB
SCHEMBL31459365 0.71 CBLB (0.40) KMT2ACBLB
SCHEMBL29222584 0.69 HSP90AA1 (0.37) KMT2APIK3CAMTORBUB1HDAC1
SCHEMBL38661444 0.69 PIK3CA (0.37) KMT2APIK3CAMTORBUB1HDAC1
SCHEMBL30543372 0.69 HSP90AA1 (0.37) KMT2APIK3CAMTORBUB1HDAC1
SCHEMBL29222684 0.69 NR1H2 (0.36) PIK3CAMTORBUB1HDAC1HDAC6

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
WO-2025067227-A1 PREPARATION METHOD FOR CBL-B REGULATOR, AND USE 浙江华海药业股份有限公司 2025-04-03 WO disclosed