SCHEMBL3835342

SCHEMBL3835342

COc1c(C(C)(C)C)ccc(-c2ccc(N)c3c[nH]cc23)c1O[SiH](C)C

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.38
FEN1 P39748 3/20 0.38

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
SCHEMBL3859840 0.85 ALOX5AP (0.33) ALOX5APFEN1
SCHEMBL3044215 0.75 KDR (0.36) ALOX5APFEN1
SCHEMBL2447577 0.68 ALOX5AP (0.33) ALOX5APFEN1
SCHEMBL336062 0.66 NR1H4 (0.36) ALOX5APFEN1
SCHEMBL8405501 0.65
SCHEMBL3039269 0.65 NQO2 (0.34)
SCHEMBL1620557 0.64 CA1 (0.39) ALOX5APFEN1
SCHEMBL7249419 0.64 ALDH1A1 (0.41)
SCHEMBL3044226 0.63 KDR (0.40)
SCHEMBL3788843 0.62 ALDH1A1 (0.39) ALOX5APFEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP disclosed