SCHEMBL22650922

SCHEMBL22650922

CC(C)c1cnn2ccc(-c3ccnc(Nc4ccc(N5CCOCC5=O)cc4F)n3)cc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.38
TYK2 P29597 2/20 0.37
EGFR P00533 2/20 0.37
JAK2 O60674 8/20 0.36
JAK3 P52333 4/20 0.36
JAK1 P23458 1/20 0.36
MTOR P42345 1/20 0.36
NTRK1 P04629 1/20 0.35
MAP3K14 Q99558 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL22650487 0.90 CDK4 (0.42) F10TYK2EGFRJAK2JAK3
SCHEMBL22650846 0.87 CDK4 (0.42) TYK2JAK2JAK3JAK1
SCHEMBL22650524 0.87 CDK6 (0.38) F10EGFR
SCHEMBL22650715 0.85 CDK6 (0.35) EGFRJAK2MAP3K14MAPK8
SCHEMBL22650597 0.84 EGFR (0.37) EGFRJAK2JAK3JAK1MAPK8
SCHEMBL22650433 0.83 EGFR (0.36) EGFRMAPK8
SCHEMBL22650519 0.83 EGFR (0.36) EGFRMAPK8
SCHEMBL22650427 0.82 EGFR (0.36) EGFRJAK2JAK3
SCHEMBL22650401 0.80 NTRK1 (0.46) JAK2JAK3JAK1NTRK1
SCHEMBL22650591 0.79 CDK6 (0.48) TYK2JAK2JAK3JAK1

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-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed