SCHEMBL14985254

SCHEMBL14985254

C=N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(Nc2ccc(N3CCOCC3)c(F)c2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 15/20 0.60
▸ LCK P06239 2/20 0.52
▸ JAK3 P52333 2/20 0.52
▸ RET P07949 3/20 0.49
▸ ROS1 P08922 3/20 0.49
▸ ALK Q9UM73 3/20 0.49
▸ FLT3 P36888 2/20 0.49
▸ EML4 Q9HC35 2/20 0.49
▸ MAPK10 P53779 2/20 0.47
▸ CDC7 O00311 1/20 0.47
▸ PLK4 O00444 1/20 0.47
▸ CHEK1 O14757 1/20 0.47
▸ PDPK1 O15530 1/20 0.47
▸ DAPK3 O43293 1/20 0.47
▸ DYRK3 O43781 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ RPS6KA5 O75582 1/20 0.47
▸ PRKD3 O94806 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47

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
SCHEMBL14955463 0.89 SYK (0.72) SYKLCKJAK3RETROS1
SCHEMBL14955621 0.80 SYK (0.72) SYKLCKJAK3RETROS1
SCHEMBL14956834 0.78 SYK (0.57) SYKLCKJAK3RETROS1
SCHEMBL16743191 0.77 SYK (0.76) SYKALKEML4KCNH2
SCHEMBL18884553 0.77 JAK3 (0.65) SYKLCKJAK3RETROS1
SCHEMBL14985256 0.77 BTK (0.54) SYKLCKJAK3RETROS1
SCHEMBL1353801 0.75 SYK (1.00) SYKALKEML4
SCHEMBL13405517 0.72 PIM1 (0.57) SYKLCKJAK3RETROS1
SCHEMBL2627076 0.71 SYK (0.87) SYKALKEML4
SCHEMBL14955156 0.71 JAK2 (0.61) SYKLCKJAK3RETROS1

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
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