SCHEMBL14839064

SCHEMBL14839064

NC(=O)c1nnc(N[C@@H]2CCOC[C@@H]2N)nc1Nc1ccc2c(cnn2C2CCOCC2)c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 20/20 0.70
▸ AURKB Q96GD4 2/20 0.57
▸ KDR P35968 1/20 0.57
▸ JAK2 O60674 1/20 0.50
▸ LCK P06239 1/20 0.50
▸ LYN P07948 1/20 0.50
▸ JAK1 P23458 1/20 0.50
▸ MAPK3 P27361 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ ZAP70 P43403 1/20 0.50
▸ JAK3 P52333 1/20 0.50
▸ TYRO3 Q06418 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50

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
SCHEMBL16253472 0.92 SYK (0.72) SYKKCNH2
SCHEMBL14838990 0.87 SYK (0.88) SYKAURKBKDRMAPK3MAPK1
SCHEMBL14838892 0.85 SYK (0.76) SYKKCNH2
SCHEMBL16253407 0.85 SYK (0.66) SYKAURKBKDRJAK2LCK
SCHEMBL16253475 0.83 SYK (0.74) SYKAURKBKDR
SCHEMBL16253411 0.83 SYK (0.80) SYKAURKBKDR
SCHEMBL16253408 0.83 SYK (1.00) SYKAURKBKDRJAK2LCK
SCHEMBL15935586 0.83 SYK (0.81) SYKAURKBKDR
SCHEMBL16743268 0.81 SYK (0.74) SYKAURKBKDRJAK2LCK
SCHEMBL15935611 0.81 SYK (0.64) SYKAURKBKDRJAK2LCK

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-2013047813-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE 大鵬薬品工業株式会社 (JP) 2013-04-04 — — WO disclosed
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