SCHEMBL4745295

SCHEMBL4745295

CC(C)Cn1c(-c2c(F)cc(OCCCN(C)C)cc2F)c(Cl)nc(-n2cccn2)c1=O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
TOP2A P11388 1/20 0.31
FGFR1 P11362 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
RIPK2 O43353 1/20 0.30
ACVR1 Q04771 1/20 0.30
NOD2 Q9HC29 1/20 0.30
BPTF Q12830 1/20 0.30
CECR2 Q9BXF3 1/20 0.30
BRD9 Q9H8M2 1/20 0.30
LYN P07948 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
SCHEMBL4490917 0.93 BPTF (0.31) KDM4ETOP2AFGFR1BPTFCECR2
SCHEMBL4490928 0.92 KDM4E (0.32) KDM4ETOP2AFGFR1BPTFCECR2
SCHEMBL4482238 0.89 LYN (0.32) LYN
SCHEMBL4489416 0.88 KDM4E (0.32) KDM4EFGFR1ADORA3BPTFCECR2
SCHEMBL4745803 0.84 KCNH2 (0.35) ADORA3
SCHEMBL4497287 0.81 HTR2A (0.36) KDM4EFGFR1
SCHEMBL4489726 0.81 KDM4E (0.30) KDM4E
SCHEMBL4741763 0.81 KDM4E (0.35) KDM4ETOP2AFGFR1BPTFCECR2
SCHEMBL3986451 0.81 JAK2 (0.36) ADORA3
SCHEMBL3988447 0.81 KDM4E (0.32) KDM4E

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-2008107398-A2 PYRAZINE COMPOUNDS BASF SE (DE) 2008-09-12 WO disclosed