SCHEMBL186120

SCHEMBL186120

CN(C(=O)C1(NC(=O)Oc2cncnc2)CC1)c1ccc(Nc2c(F)cccc2C(F)(F)F)cn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.34
JAK3 P52333 2/20 0.34
JAK2 O60674 1/20 0.34
LCK P06239 2/20 0.33
FAAH O00519 3/20 0.33
TRPV1 Q8NER1 2/20 0.33
MAP4K1 Q92918 1/20 0.32
PTGS2 P35354 1/20 0.32
LIPE Q05469 1/20 0.31
KDR P35968 1/20 0.31
TEK Q02763 1/20 0.31
MAPK10 P53779 1/20 0.31
CDK8 P49336 1/20 0.31
PDE10A Q9Y233 1/20 0.30
MPL P40238 1/20 0.30

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
SCHEMBL186646 0.92 L3MBTL1 (0.35) LCKFAAHTRPV1LIPE
SCHEMBL185363 0.92 FAAH (0.31) JAK1JAK3JAK2LCKFAAH
SCHEMBL2809213 0.90 JAK1 (0.34) JAK1JAK3JAK2LCKMAP4K1
SCHEMBL185223 0.88 FAAH (0.35) FAAHTRPV1LIPEMAPK10
SCHEMBL14856612 0.85 MAPK10 (0.33) FAAHTRPV1LIPEKDRTEK
SCHEMBL185613 0.85 SMO (0.33) FAAHTRPV1LIPEMAPK10PDE10A
SCHEMBL186205 0.82 LIPE (0.36) FAAHTRPV1LIPEKDRPDE10A
SCHEMBL185331 0.82 DHODH (0.35) FAAHTRPV1LIPEKDR
SCHEMBL2806523 0.82 BDKRB1 (0.33) JAK1JAK3JAK2MAP4K1PTGS2
SCHEMBL2811232 0.82 BRAF (0.36) LCKKDRMPL

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-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed