SCHEMBL3668669

SCHEMBL3668669

Cc1[nH]c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cn2)cc1-c1cccc(-n2ccc3cc(N(C)C)ccc3c2=O)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.61
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.43
SRC P12931 1/20 0.43
TYK2 P29597 1/20 0.40
CLK2 P49760 1/20 0.39
LPAR5 Q9H1C0 1/20 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
SCHEMBL1725221 0.86 BTK (0.75) BTKCLK2
SCHEMBL1728090 0.85 BTK (0.75) BTKKDM4ERAB9ASRCCLK2
SCHEMBL3668896 0.83 BTK (0.52) BTKKDM4ERAB9ASRCTYK2
SCHEMBL1726330 0.78 BTK (0.85) BTKCLK2
SCHEMBL3672695 0.76 BTK (0.61) BTKKDM4ERAB9ASRCCLK2
SCHEMBL1726615 0.76 BTK (0.61) BTK
SCHEMBL1725222 0.76 BTK (1.00) BTKCLK2
SCHEMBL1725376 0.74 BTK (0.86) BTKCLK2
SCHEMBL3666556 0.73 BTK (0.60) BTKKDM4ERAB9A
SCHEMBL4391307 0.73 BTK (0.50) BTKKDM4ERAB9ASRCTYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258177-A2 Mixtures comprising 1-methylcyclopropene Rohm and Haas Company (US) 2010-12-08 EP disclosed
EP-2164323-A1 MIXTURES COMPRISING 1-METHYLCYCLOPROPENE Rohm and Haas Company (US) 2010-03-24 EP disclosed
WO-2008071714-A1 MIXTURES COMPRISING 1-METHYLCYCLOPROPENE ROHM AND HAAS COMPANY (US) 2008-06-19 WO disclosed