SCHEMBL13860102

SCHEMBL13860102

Cc1cc2c(Cl)ncnc2n1CC1CCCN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.35
ACACB O00763 1/20 0.35
BTK Q06187 13/20 0.35
EGFR P00533 5/20 0.33
LCK P06239 5/20 0.33
ITK Q08881 4/20 0.33
JAK3 P52333 2/20 0.32
NPC1 O15118 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL15516633 0.86 PDE8B (0.40) JAK3
SCHEMBL15516634 0.86 PDE8B (0.40) JAK3
SCHEMBL28097469 0.80 BTK (0.39) HRH3BTKEGFRLCKITK
SCHEMBL17312246 0.78 ACACB (0.34) ACACB
SCHEMBL16492427 0.74 PDE8B (0.39) JAK3
SCHEMBL16492428 0.74 PDE8B (0.39) JAK3
SCHEMBL29064221 0.74 BTK (0.34) BTKEGFRLCKITKJAK3
SCHEMBL29064219 0.74 BTK (0.34) BTKEGFRLCKITKJAK3
SCHEMBL28928067 0.73 LMNA (0.37)
SCHEMBL29064397 0.72 BTK (0.39) ACACBBTKEGFRLCKITK

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
CN-103534258-B Tyrosine kinase inhibitor 普林斯匹亚生物制药公司 2016-09-14 CN disclosed
EP-2710005-A1 TYROSINE KINASE INHIBITORS Principia Biopharma Inc. (US) 2014-03-26 EP disclosed
WO-2012158764-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2012-11-22 WO disclosed