SCHEMBL3835028

SCHEMBL3835028

CCN(CC)c1ccc2c(ccn2C(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PIK3CD O00329 2/20 0.42
▸ ABL1 P00519 2/20 0.42
▸ EGFR P00533 2/20 0.42
▸ HCK P08631 2/20 0.42
▸ SRC P12931 2/20 0.42
▸ KDR P35968 2/20 0.42
▸ PIK3CA P42336 2/20 0.42
▸ PIK3CB P42338 2/20 0.42
▸ MTOR P42345 2/20 0.42
▸ PIK3CG P48736 2/20 0.42
▸ EPHB4 P54760 2/20 0.42
▸ PRKDC P78527 2/20 0.42
▸ PI4KB Q9UBF8 2/20 0.42
▸ HTR6 P50406 1/20 0.39
▸ MAOB P27338 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36

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
SCHEMBL10117911 0.83 PIK3CD (0.43) PIK3CDABL1EGFRHCKSRC
SCHEMBL4929175 0.81 EP300 (0.56) MAPTKDM4ENPC1RAB9APIK3CD
SCHEMBL5482233 0.81 HTR6 (0.41) PIK3CDABL1EGFRHCKSRC
SCHEMBL12043978 0.80 PIK3CD (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL3834470 0.80 PIK3CD (0.41) PIK3CDABL1EGFRHCKSRC
SCHEMBL819797 0.80 PIK3CD (0.46) KDM4EPIK3CDABL1EGFRHCK
SCHEMBL18805035 0.80 PIK3CD (0.46) KDM4EPIK3CDABL1EGFRHCK
SCHEMBL13646772 0.79 MAPT (0.39) MAPTKDM4ENPC1RAB9AMAOB
SCHEMBL1273077 0.78 HTR6 (0.49) PIK3CDABL1EGFRHCKSRC
SCHEMBL3269495 0.78 PIK3CD (0.47) PIK3CDABL1EGFRHCKSRC

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
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 — — EP disclosed
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