SCHEMBL21614114

SCHEMBL21614114

CC(C)Cc1cccc(Nc2ncc(C(F)(F)F)c(NCc3nccnc3N(C)S(C)(=O)=O)n2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 20/20 0.76
▸ AURKA O14965 1/20 0.65
▸ JAK2 O60674 1/20 0.65
▸ STK16 O75716 1/20 0.65
▸ CDKL5 O76039 1/20 0.65
▸ LATS1 O95835 1/20 0.65
▸ PAK4 O96013 1/20 0.65
▸ ABL1 P00519 1/20 0.65
▸ NTRK1 P04629 1/20 0.65
▸ CDK1 P06493 1/20 0.65
▸ LYN P07948 1/20 0.65
▸ RET P07949 1/20 0.65
▸ ADORA3 P0DMS8 1/20 0.65
▸ FER P16591 1/20 0.65
▸ FLT1 P17948 1/20 0.65
▸ ERCC2 P18074 1/20 0.65
▸ CSNK2A2 P19784 1/20 0.65
▸ CCNA2 P20248 1/20 0.65
▸ DRD1 P21728 1/20 0.65
▸ CDK2 P24941 1/20 0.65

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
SCHEMBL1628053 0.87 PTK2 (1.00) PTK2AURKAJAK2STK16CDKL5
SCHEMBL29853408 0.87 PTK2 (1.00) PTK2AURKAJAK2STK16CDKL5
SCHEMBL29853547 0.85 PTK2 (1.00) PTK2AURKAJAK2STK16CDKL5
SCHEMBL31653786 0.85 PTK2 (0.87) PTK2AURKAJAK2STK16CDKL5
SCHEMBL1628553 0.85 PTK2 (1.00) PTK2AURKAJAK2STK16CDKL5
SCHEMBL29853754 0.84 PTK2 (1.00) PTK2AURKAJAK2STK16CDKL5
SCHEMBL1626811 0.84 PTK2 (1.00) PTK2AURKAJAK2STK16CDKL5
SCHEMBL1628396 0.82 PTK2 (1.00) PTK2AURKAJAK2STK16CDKL5
SCHEMBL1626983 0.82 PTK2 (1.00) PTK2AURKAJAK2STK16CDKL5
SCHEMBL19583341 0.82 PTK2 (1.00) PTK2AURKAJAK2STK16CDKL5

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-2020006724-A1 COMPOUND FOR TARGETED DEGRADATION OF FAK PROTEIN AND USE THEREOF 清华大学 2020-01-09 — — WO disclosed
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