SCHEMBL3658577

SCHEMBL3658577

Cc1[nH]c(=O)c(NC(=O)NCCO)cc1-c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.53
NR1H4 Q96RI1 2/20 0.45
PPARG P37231 1/20 0.45
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
BMX P51813 1/20 0.40
DHPS P49366 2/20 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
SCHEMBL104236 0.79 BTK (0.84) BTK
SCHEMBL3658579 0.77 BTK (0.55) BTKNR1H4PPARGRAB9ASMN1; SMN2
SCHEMBL4183020 0.76 BTK (0.49) BTKNR1H4PPARGRAB9ASMN1; SMN2
SCHEMBL3959742 0.76 RAB9A (0.52) BTKNR1H4PPARGRAB9ASMN1; SMN2
SCHEMBL3870962 0.75 BTK (0.70) BTKNR1H4PPARGRAB9ASMN1; SMN2
SCHEMBL3953320 0.75 BTK (0.48) BTKNR1H4PPARGRAB9ASMN1; SMN2
SCHEMBL4086768 0.74 BTK (0.61) BTKNR1H4PPARGRAB9ASMN1; SMN2
SCHEMBL4085005 0.74 BTK (0.61) BTK
SCHEMBL3955908 0.72 BTK (0.45) BTKNR1H4PPARGRAB9ASMN1; SMN2
SCHEMBL3963719 0.71 BTK (0.51) BTKBMX

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-2205564-A1 NOVEL KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
WO-2009053269-A1 NOVEL KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed