SCHEMBL7704861

SCHEMBL7704861

CC[C](CC)c1ccc(NC=C2C(=O)Nc3ncc(-c4ccsc4)cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 2/20 0.40
CHEK2 O96017 10/20 0.39
CHEK1 O14757 2/20 0.37
EPHX2 P34913 1/20 0.34
AXL P30530 1/20 0.34
JAK3 P52333 1/20 0.34
MET P08581 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
GAK O14976 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL5873979 0.84 CDK8 (0.37) MAP3K11CHEK2CHEK1EPHX2AXL
SCHEMBL5873978 0.84 CDK8 (0.37) MAP3K11CHEK2CHEK1EPHX2AXL
SCHEMBL5873818 0.83 CHEK2 (0.35) MAP3K11CHEK2CHEK1EPHX2AXL
SCHEMBL5873832 0.83 CHEK2 (0.35) MAP3K11CHEK2CHEK1EPHX2AXL
SCHEMBL5170979 0.81 IKBKB (0.41) MAP3K11CHEK2CHEK1EPHX2JAK3
SCHEMBL5419132 0.81 IKBKB (0.41) MAP3K11CHEK2CHEK1EPHX2JAK3
SCHEMBL5873840 0.81 PTK2 (0.35) MAP3K11CHEK2AXLJAK3MET
SCHEMBL5873838 0.81 PTK2 (0.35) MAP3K11CHEK2AXLJAK3MET
SCHEMBL5873801 0.80 JAK3 (0.36) MAP3K11CHEK2CHEK1AXLJAK3
SCHEMBL5873805 0.80 JAK3 (0.36) MAP3K11CHEK2CHEK1AXLJAK3

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
US-6350747-B1 PROTEIN SERINE/THREONINE KINASE AND PROTEIN TYROSINE KINASE ENZYME INHIBITORS; ANGIOGENESIS INHIBITORS; ANTITUMOR AND ANTIPROLIFERATIVE AGENTS GLAXO WELLCOME INC. 2002-02-26 US disclosed