SCHEMBL17412969

SCHEMBL17412969

C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(C(=O)NC(C)C)c3n2)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.59
ITK Q08881 4/20 0.59
JAK3 P52333 11/20 0.58
SYK P43405 2/20 0.57
CYP2C9 P11712 1/20 0.57
JAK2 O60674 3/20 0.51
JAK1 P23458 3/20 0.51
PLCG1 P19174 2/20 0.50

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
SCHEMBL17412959 0.89 SYK (0.57) JAK3SYKCYP2C9JAK2JAK1
SCHEMBL17413158 0.87 BTK (0.61) BTKITKJAK3JAK2PLCG1
SCHEMBL31061214 0.87 BTK (0.60) BTKITKJAK3SYKPLCG1
SCHEMBL15740631 0.87 BTK (0.60) BTKITKJAK3SYKPLCG1
SCHEMBL17413148 0.86 JAK3 (0.58) JAK3SYKJAK2JAK1
SCHEMBL17413051 0.85 BTK (0.58) BTKITKJAK3SYKCYP2C9
SCHEMBL15740604 0.85 JAK3 (0.64) BTKITKJAK3PLCG1
SCHEMBL17412970 0.84 JAK3 (0.70) JAK3JAK2JAK1
SCHEMBL17413159 0.84 JAK3 (0.50) JAK3SYKCYP2C9JAK2JAK1
SCHEMBL17413143 0.84 ITK (0.56) BTKITKJAK3PLCG1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016000615-A1 HETEROARYL COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-01-07 WO disclosed