SCHEMBL14985281

SCHEMBL14985281

C=N[C@@H]1[C@H](Nc2cnc(C(N)=O)c(Nc3ccc4c(c3)CCOC4)n2)CCCC1(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.46
▸ PLK4 O00444 1/20 0.46
▸ CHEK1 O14757 1/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ DAPK3 O43293 1/20 0.46
▸ DYRK3 O43781 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ RPS6KA5 O75582 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ PAK4 O96013 1/20 0.46
▸ CHEK2 O96017 1/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ PRKCG P05129 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ FYN P06241 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CSF1R P07333 1/20 0.46
▸ RET P07949 1/20 0.46

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
SCHEMBL14955585 0.90 IRAK4 (0.49) CDC7PLK4CHEK1PDPK1DAPK3
SCHEMBL14955719 0.87 IRAK4 (0.49) CDC7PLK4CHEK1PDPK1DAPK3
SCHEMBL14956091 0.84 IRAK4 (0.51) CDC7PLK4CHEK1PDPK1DAPK3
SCHEMBL14955680 0.81 IRAK4 (0.53) CDC7PLK4CHEK1PDPK1DAPK3
SCHEMBL16743372 0.78 SYK (0.50) SYKKCNH2
SCHEMBL14955582 0.74 IRAK4 (0.49) CDC7PLK4CHEK1PDPK1DAPK3
SCHEMBL14956072 0.73 IRAK4 (0.58) CDC7PLK4CHEK1PDPK1DAPK3
SCHEMBL14956759 0.73 IRAK4 (0.53) CDC7PLK4CHEK1PDPK1DAPK3
SCHEMBL14956101 0.73 IRAK4 (0.52) CDC7PLK4CHEK1PDPK1DAPK3
SCHEMBL16743352 0.72 SYK (0.52) SYKKCNH2

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-2013078466-A1 PYRAZINE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 — — WO disclosed
Send feedback