SCHEMBL20078408

SCHEMBL20078408

CC(C)(O)c1cc2cnc(NCCN3CCOCC3)nc2n2c1nc1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ HPGD P15428 5/20 0.49
▸ GAA P10253 4/20 0.49
▸ CASP1 P29466 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ GLA P06280 3/20 0.49
▸ TSHR P16473 2/20 0.49
▸ HIF1A Q16665 1/20 0.47
▸ MKNK1 Q9BUB5 3/20 0.47
▸ MAPK8 P45983 1/20 0.46
▸ CASP7 P55210 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MERTK Q12866 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ FGFR2 P21802 1/20 0.43
▸ FGFR4 P22455 1/20 0.43
▸ FGFR3 P22607 1/20 0.43

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
SCHEMBL20078409 0.87 POLR1A (0.37) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL18057405 0.86 ALDH1A1 (0.51) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL17255051 0.84 MKNK1 (0.52) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL23161881 0.84 ALDH1A1 (0.49) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL18057394 0.83 KDM4E (0.48) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL18057384 0.82 ALDH1A1 (0.57) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL20078424 0.82 MKNK1 (0.43) KDM4EALDH1A1GAACASP1HSD17B10
SCHEMBL20078411 0.81 ALDH1A1 (0.44) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL20078422 0.78 KDM4E (0.39) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL20078412 0.76 BRD4 (0.43) MAPK8LCKKDRMAPK14

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
Send feedback