SCHEMBL4710801

SCHEMBL4710801

NCC(=O)Nc1ncc(C(N)=O)c(Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.76
CAMK1D Q8IU85 6/20 0.76
ZAP70 P43403 4/20 0.76
PRKCE Q02156 1/20 0.75
BTK Q06187 1/20 0.75
ITK Q08881 1/20 0.75
KCNH2 Q12809 2/20 0.54
AURKB Q96GD4 2/20 0.54
MAP3K7 O43318 1/20 0.54
CSF1R P07333 1/20 0.54
PIM1 P11309 1/20 0.54
MAPK3 P27361 1/20 0.54
MAPK1 P28482 1/20 0.54
BLK P51451 1/20 0.54
RIPK4 P57078 1/20 0.54
CSNK2A1 P68400 1/20 0.54
MAP2K5 Q13163 1/20 0.54
MAP3K11 Q16584 1/20 0.54

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
SCHEMBL29794661 0.87 SYK (1.00) SYKCAMK1DZAP70PRKCEBTK
SCHEMBL1222899 0.87 SYK (1.00) SYKCAMK1DZAP70PRKCEBTK
SCHEMBL4714405 0.84 SYK (1.00) SYKCAMK1DZAP70PRKCEBTK
SCHEMBL29794721 0.84 SYK (1.00) SYKCAMK1DZAP70PRKCEBTK
Hydrochloric Acid SCHEMBL4716050 0.81 SYK (0.98) SYKCAMK1DZAP70PRKCEBTK
SCHEMBL2627353 0.80 SYK (1.00) SYKCAMK1DZAP70PRKCEBTK
SCHEMBL1354032 0.80 SYK (0.69) SYKCAMK1DZAP70PRKCEBTK
SCHEMBL4713199 0.79 SYK (0.57) SYKCAMK1DZAP70PRKCEBTK
SCHEMBL1352407 0.79 SYK (1.00) SYKCAMK1DZAP70PRKCEBTK
SCHEMBL1352412 0.79 SYK (1.00) SYKCAMK1DZAP70PRKCEBTK

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-1054004-B1 NOVEL PYRIMIDINE-5-CARBOXAMIDE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-07-16 EP disclosed
US-6432963-B1 ANTIINFLAMMATORY AGENTS; TYROSINE KINASE INHIBITOR YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2002-08-13 US disclosed
EP-1054004-A1 NOVEL PYRIMIDINE-5-CARBOXAMIDE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-11-22 EP disclosed