SCHEMBL14981697

SCHEMBL14981697

NC(=O)c1cnc(NC2CCOCC2N)nc1NO

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 20/20 0.73
▸ MAPK3 P27361 5/20 0.71
▸ MAPK1 P28482 5/20 0.71
▸ KCNH2 Q12809 5/20 0.71
▸ AURKB Q96GD4 5/20 0.71
▸ JAK2 O60674 1/20 0.71
▸ LCK P06239 1/20 0.71
▸ LYN P07948 1/20 0.71
▸ JAK1 P23458 1/20 0.71
▸ ZAP70 P43403 1/20 0.71
▸ JAK3 P52333 1/20 0.71
▸ TYRO3 Q06418 1/20 0.71
▸ EML4 Q9HC35 1/20 0.51
▸ ALK Q9UM73 1/20 0.51

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
SCHEMBL16202637 0.90 SYK (0.74) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL14975885 0.85 SYK (0.82) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL1354262 0.84 SYK (1.00) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL14975783 0.84 SYK (0.82) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL1312033 0.84 SYK (1.00) SYKMAPK3MAPK1KCNH2AURKB
Hydrochloric Acid SCHEMBL30189541 0.83 SYK (0.98) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL14975680 0.81 SYK (0.78) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL1355098 0.81 SYK (1.00) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL14976570 0.81 SYK (0.81) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL14981658 0.80 SYK (0.71) SYKMAPK3MAPK1KCNH2AURKB

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-2013078468-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 — — WO disclosed
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