SCHEMBL21446901

SCHEMBL21446901

CCN(CC)Cc1ccc(Nc2ncc(Cl)c(Nc3ccccc3[SH](=O)=O)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 3/20 0.48
▸ CDK2 P24941 3/20 0.48
▸ CCNK O75909 1/20 0.48
▸ CCND3 P30281 1/20 0.48
▸ CDK9 P50750 1/20 0.48
▸ CDK6 Q00534 1/20 0.48
▸ ALK Q9UM73 2/20 0.48
▸ PTK2 Q05397 3/20 0.48
▸ AXL P30530 6/20 0.47
▸ AURKA O14965 2/20 0.47
▸ AURKB Q96GD4 1/20 0.47
▸ MAPK9 P45984 3/20 0.47
▸ MAPK10 P53779 3/20 0.47
▸ INSR P06213 1/20 0.46
▸ STK17B O94768 1/20 0.45
▸ STK17A Q9UEE5 1/20 0.45
▸ MAP3K7 O43318 1/20 0.45

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
SCHEMBL19203857 0.82 ALK (0.56) CCNA2CDK2ALKPTK2AURKA
SCHEMBL19203872 0.74 LRRK2 (0.69) CDK9ALKPTK2AURKAMAPK9
SCHEMBL16656851 0.73 INSR (0.60) ALKAURKAINSR
SCHEMBL15424352 0.72 ALK (0.41) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL1039004 0.71 ALK (0.56) CCND3ALKPTK2AXLAURKB
SCHEMBL15217781 0.71 ALK (0.62) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL20232208 0.70 BCL6 (0.58) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL21437508 0.69 AXL (0.74) CDK9ALKPTK2AXLAURKA
SCHEMBL21438066 0.69 AXL (0.73) ALKPTK2AXLAURKAAURKB
SCHEMBL31173410 0.69 AXL (0.73) ALKPTK2AXLAURKAAURKB

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-2019195753-A1 AXL KINASE INHIBITORS AND USE OF THE SAME TOLERO PHARMACEUTICALS, INC. (US) 2019-10-10 — — WO disclosed
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