SCHEMBL20748890

SCHEMBL20748890

CCOC(=O)c1c(C)nn2c1C(=O)NC(C(F)(F)F)C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAT P00750 6/20 0.39
KMT2A Q03164 3/20 0.38
PDE4D Q08499 4/20 0.36
KDM4E B2RXH2 3/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
ADORA2B P29275 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE4B Q07343 1/20 0.33
MAPK1 P28482 1/20 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
SCHEMBL16700427 0.89 KMT2A (0.37) PLATKMT2APDE4DKDM4EPOLB
SCHEMBL20748902 0.83 PDE4D (0.39) PLATKMT2APDE4DKDM4EPOLB
SCHEMBL20748971 0.80 PLAT (0.39) PLATKMT2APDE4DKDM4EADORA2B
SCHEMBL21130895 0.75 PDE4D (0.41) PLATPDE4DKDM4EMAPTLMNA
SCHEMBL16700630 0.71 KMT2A (0.35) PLATKMT2APDE4DKDM4EPOLB
SCHEMBL16711267 0.71 PLAT (0.34) PLATKMT2APDE4DPOLBALDH1A1
SCHEMBL16701033 0.70 POLB (0.34) PLATKMT2APDE4DPOLBLMNA
SCHEMBL16699886 0.69 KMT2A (0.35) PLATKMT2APDE4DKDM4EPOLB
SCHEMBL16699755 0.69 PLAT (0.34) PLATKMT2APDE4DKDM4EALDH1A1
SCHEMBL16699701 0.66 ALDH1A1 (0.31) POLBALDH1A1

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-3068785-B1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-06-26 EP disclosed
EP-3068784-B1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-02-20 EP disclosed