SCHEMBL7403733

SCHEMBL7403733

CN(C)CCCOc1ccc(CC(c2nc3ccccc3[nH]2)c2nc3ccc(C(=N)N)cc3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.51
PLAU P00749 6/20 0.49
PLG P00747 5/20 0.49
F10 P00742 5/20 0.47
F2 P00734 4/20 0.47
F7 P08709 3/20 0.47
ACHE P22303 1/20 0.43
PRSS1 P07477 2/20 0.41
PLAT P00750 1/20 0.40

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
SCHEMBL7506704 0.86 CHEK2 (0.53) CHEK2PLAUPLGF10F2
SCHEMBL7595573 0.79 F2 (0.58) PLAUPLGF10F2F7
SCHEMBL7406501 0.77 F2 (0.53) PLAUPLGF10F2F7
SCHEMBL7505853 0.76 F10 (0.55) PLAUPLGF10F2F7
SCHEMBL7403653 0.76 F2 (0.49) PLAUPLGF10F2F7
SCHEMBL7410068 0.76 F2 (0.49) PLAUPLGF10F2F7
SCHEMBL7403496 0.75 F2 (0.46) CHEK2PLAUPLGF10F2
SCHEMBL7511876 0.75 F10 (0.50) PLAUPLGF10F2F7
SCHEMBL7404382 0.75 F2 (0.48) PLAUPLGF10F2F7
SCHEMBL7403218 0.75 F10 (0.49) CHEK2F10F2

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-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed