SCHEMBL28020340

SCHEMBL28020340

COCCNc1nccc(OC)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
KCNH3 Q9ULD8 4/20 0.46
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CCR4 P51679 3/20 0.41
PDPK1 O15530 4/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EIF2AK2 P19525 1/20 0.41
DYRK3 O43781 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
MATK P42679 1/20 0.41

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
SCHEMBL14516259 0.85 CYP1A2 (0.45) CYP1A2CYP2C19CCR4PDPK1MTNR1A
SCHEMBL14516263 0.82 HRH4 (0.52) CCR4PDPK1
SCHEMBL91582 0.81 MKNK1 (0.51) MKNK1MKNK2KCNH3ALDH1A1CYP1A2
SCHEMBL28860465 0.81 MKNK1 (0.42) MKNK1CYP1A2CYP2C19CCR4PDPK1
SCHEMBL19477216 0.80 MKNK1 (0.50) MKNK1MKNK2KCNH3ALDH1A1CYP1A2
SCHEMBL11308784 0.80 MKNK1 (0.53) MKNK1MKNK2KCNH3ALDH1A1CYP1A2
SCHEMBL10055017 0.79 CLK4 (0.52) MAPK9CLK2CLK4
SCHEMBL10026853 0.78 MKNK1 (0.46) MKNK1MKNK2KCNH3ALDH1A1CYP1A2
SCHEMBL12280402 0.78 DYRK1B (0.46) CCR4PDPK1
SCHEMBL24650717 0.78 MKNK1 (0.48) MKNK1MKNK2KCNH3ALDH1A1CYP1A2

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
CN-104725397-A Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them SERVIER LAB 2015-06-24 CN disclosed