SCHEMBL13695327

SCHEMBL13695327

CCN(CC)C(=O)COc1cccc(Nc2ncc(Cl)c(Nc3ccccc3NC)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.51
▸ ALK Q9UM73 5/20 0.49
▸ MET P08581 4/20 0.49
▸ SYK P43405 6/20 0.49
▸ BRD4 O60885 1/20 0.49
▸ EGFR P00533 3/20 0.47
▸ CTSC P53634 1/20 0.47
▸ PTK2 Q05397 2/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ MAPK10 P53779 1/20 0.46

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
SCHEMBL1040153 0.90 ALK (0.63) BTKALKMETEGFRPTK2
SCHEMBL13695177 0.90 SYK (0.61) SYK
SCHEMBL13695297 0.87 SYK (0.53) BTKALKMETSYKEGFR
SCHEMBL12765469 0.80 GLO1 (0.60) ALKMETSYKEGFR
SCHEMBL1040131 0.79 ALK (0.64) ALKMETEGFRPTK2
SCHEMBL12765495 0.78 ALK (0.68) ALKMETEGFRCTSCPTK2
Hydrochloric Acid SCHEMBL1035670 0.77 ALK (0.67) ALKMETEGFRCTSCPTK2
SCHEMBL13695322 0.77 SYK (0.64) SYK
SCHEMBL12765459 0.77 ALK (0.67) BTKALKMETSYKEGFR
SCHEMBL13695178 0.76 SYK (0.65) SYK

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-2009112490-A1 SULFONAMIDES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2009-09-17 — — WO disclosed
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