SCHEMBL5027172

SCHEMBL5027172

NC(=O)c1cc(F)c(N[C@@H]2CCCC(F)(F)C2N)nc1Nc1cccc(-n2nccn2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 20/20 0.58
▸ KCNH2 Q12809 4/20 0.58
▸ JAK2 O60674 1/20 0.57
▸ LCK P06239 1/20 0.57
▸ YES1 P07947 1/20 0.57
▸ LYN P07948 1/20 0.57
▸ FGR P09769 1/20 0.57
▸ SRC P12931 1/20 0.57
▸ PRKCA P17252 1/20 0.57
▸ FLT3 P36888 1/20 0.57
▸ ZAP70 P43403 1/20 0.57
▸ MAP3K9 P80192 1/20 0.57
▸ PAK5 Q9P286 1/20 0.57

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
SCHEMBL9236313 1.00 SYK (0.58) SYKKCNH2JAK2LCKYES1
SCHEMBL2715579 0.90 SYK (0.58) SYKKCNH2JAK2LCKYES1
SCHEMBL5028032 0.89 SYK (0.58) SYKKCNH2JAK2LCKYES1
SCHEMBL5028025 0.88 SYK (0.76) SYKKCNH2JAK2LCKYES1
SCHEMBL14929575 0.88 SYK (0.75) SYKKCNH2JAK2LCKYES1
SCHEMBL9110112 0.88 SYK (0.75) SYKKCNH2JAK2LCKYES1
SCHEMBL14908938 0.88 SYK (0.75) SYKKCNH2JAK2LCKYES1
SCHEMBL14977597 0.86 SYK (0.77) SYKKCNH2JAK2LCKYES1
SCHEMBL1354115 0.86 SYK (0.77) SYKKCNH2JAK2LCKYES1
SCHEMBL5027996 0.86 SYK (0.74) 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-2012061418-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO disclosed
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