SCHEMBL16100226

SCHEMBL16100226

CCCCCCNc1ncc(C(N)=O)c(Nc2cccc(-c3ncccn3)c2)n1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 20/20 0.66
▸ ZAP70 P43403 3/20 0.59
▸ KCNH2 Q12809 1/20 0.59
▸ AURKB Q96GD4 1/20 0.59

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
SCHEMBL1354443 0.83 SYK (0.73) SYK
SCHEMBL1354438 0.83 SYK (0.73) SYK
SCHEMBL14977488 0.81 SYK (0.58) SYKZAP70KCNH2AURKB
SCHEMBL1353731 0.80 SYK (1.00) SYK
SCHEMBL1353737 0.80 SYK (1.00) SYK
SCHEMBL1354470 0.79 SYK (1.00) SYK
SCHEMBL1354473 0.79 SYK (1.00) SYK
SCHEMBL12904968 0.79 SYK (0.67) SYKZAP70KCNH2AURKB
SCHEMBL16202719 0.79 SYK (0.67) SYKZAP70KCNH2AURKB
SCHEMBL14977578 0.78 SYK (0.64) SYK

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-2014152768-A1 CYCLOHEXANEDIAMINE COMPOUNDS AND METHODS FOR THEIR PREPARATION PORTOLA PHARMACEUTICALS, INC. (US) 2014-09-25 — — WO disclosed
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