SCHEMBL30141460

SCHEMBL30141460

OCc1cc(Nc2cccc(C(F)(F)F)c2)ncn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.65
EGFR P00533 5/20 0.56
ERBB4 Q15303 1/20 0.56
AURKA O14965 2/20 0.51
KDM4E B2RXH2 2/20 0.50
ABCG2 Q9UNQ0 1/20 0.49
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
IDH2 P48735 3/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
KDR P35968 3/20 0.47
RET P07949 1/20 0.47
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
GPR52 Q9Y2T5 1/20 0.46
BRAF P15056 1/20 0.46
MAPK14 Q16539 1/20 0.46

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
SCHEMBL1387447 0.85 THRB (0.80) THRBEGFRERBB4AURKAKDM4E
SCHEMBL7782959 0.84 THRB (0.62) THRBEGFRERBB4AURKAKDM4E
Hydrochloric Acid SCHEMBL7781124 0.83 THRB (0.61) THRBEGFRERBB4AURKAKDM4E
SCHEMBL19420148 0.82 THRB (0.70) THRBEGFRERBB4AURKAKDM4E
SCHEMBL374332 0.79 THRB (0.74) THRBEGFRERBB4AURKAKDM4E
SCHEMBL374140 0.79 THRB (0.70) THRBEGFRERBB4AURKAKDM4E
SCHEMBL13778007 0.79 THRB (1.00) THRBEGFRERBB4AURKAKDM4E
SCHEMBL7781150 0.78 THRB (0.55) THRBEGFRERBB4AURKAKDM4E
SCHEMBL4239042 0.78 THRB (0.68) THRBEGFRERBB4AURKAKDM4E
SCHEMBL4239038 0.75 AURKA (0.70) THRBEGFRERBB4AURKAKDM4E

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-2023286772-A1 CARDIOMYOCYTE PRODUCTION METHOD 三菱ケミカル株式会社 2023-01-19 WO disclosed