SCHEMBL20078409

SCHEMBL20078409

CC(C)(O)c1cc2cnc(NCCN3CC[C@H](F)C3)nc2n2c1nc1ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLR1A O95602 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ GAA P10253 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CASP1 P29466 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK8 P45983 1/20 0.35
▸ MERTK Q12866 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ FGFR1 P11362 5/20 0.33
▸ SRC P12931 4/20 0.33
▸ MAPK14 Q16539 4/20 0.33
▸ EGFR P00533 3/20 0.33
▸ LCK P06239 3/20 0.33
▸ KDR P35968 3/20 0.33
▸ FGFR2 P21802 2/20 0.33

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
SCHEMBL20078408 0.87 KDM4E (0.49) KDM4EGAAHPGDCASP1HSD17B10
SCHEMBL18057401 0.86 POLR1A (0.38) POLR1AKDM4EGAAHPGDCASP1
SCHEMBL23160990 0.84 POLR1A (0.37) POLR1AKDM4EGAAHPGDCASP1
SCHEMBL18057389 0.84 POLR1A (0.42) POLR1AKDM4EGAAHPGDCASP1
SCHEMBL18057378 0.83 KDM4E (0.43) POLR1AKDM4EGAAHPGDCASP1
SCHEMBL19365184 0.83 POLR1A (0.37) POLR1AKDM4EGAAHPGDCASP1
SCHEMBL20078424 0.81 MKNK1 (0.43) KDM4EGAACASP1HSD17B10CASP7
SCHEMBL20078411 0.80 ALDH1A1 (0.44) POLR1AKDM4EGAAHPGDCASP1
SCHEMBL20078412 0.79 BRD4 (0.43) MAPK8MAPK14LCKKDR
SCHEMBL20078422 0.77 KDM4E (0.39) KDM4EGAAHPGDCASP1HSD17B10

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
US-9951066-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2018-04-24 — — US disclosed
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