SCHEMBL2594617

SCHEMBL2594617

CC(C)n1ncc2c(C(N)=O)cc(-c3ccc(C(F)(F)F)nc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 15/20 0.44
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
EZH1 Q92800 7/20 0.40
EED O75530 2/20 0.40
RBBP4 Q09028 2/20 0.40
SUZ12 Q15022 2/20 0.40
RBBP7 Q16576 2/20 0.40
AEBP2 Q6ZN18 2/20 0.40
PARP1 P09874 1/20 0.40
PRMT3 O60678 1/20 0.38
SETD7 Q8WTS6 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
SCHEMBL2594802 0.76 EZH2 (0.72) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL2595663 0.75 RIPK1 (0.51) EZH2PARP1
SCHEMBL2594853 0.74 LRRK2 (0.42) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL30350272 0.71 EZH2 (0.63) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL12682122 0.69 JAK1 (0.57) JAK1JAK3
SCHEMBL2587384 0.69 EZH2 (0.50) EZH2JAK1JAK3PARP1
SCHEMBL28074535 0.66 PIK3CA (0.42) JAK1JAK3PARP1
SCHEMBL30810190 0.66 BCAT2 (0.53) PARP1
SCHEMBL12682095 0.66 JAK1 (0.60) JAK1JAK3
SCHEMBL2592470 0.65 MAP4K1 (0.45) EZH2

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-2566328-A1 INDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP claimed
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO claimed