SCHEMBL19624819

SCHEMBL19624819

Cc1nc(Nc2ccc(OCCOI)cc2)ncc1F

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 11/20 0.54
▸ AURKA O14965 4/20 0.50
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ EGFR P00533 3/20 0.44
▸ BTK Q06187 2/20 0.44
▸ ITK Q08881 2/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ LYN P07948 1/20 0.44
▸ TEC P42680 1/20 0.44
▸ TXK P42681 1/20 0.44
▸ BMX P51813 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ CD69 Q07108 1/20 0.44
▸ CDK4 P11802 1/20 0.42

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
SCHEMBL19544927 0.88 SYK (0.57) SYKAURKANPC1MAPTEGFR
SCHEMBL18198827 0.75 SYK (0.54) SYKAURKAEGFRBTKITK
SCHEMBL22909438 0.74 SYK (0.56) SYKAURKAEGFRBTKITK
SCHEMBL29729055 0.74 SYK (0.56) SYKAURKAEGFRBTKITK
SCHEMBL23408964 0.74 SYK (0.68) SYKAURKAEGFRBTKITK
SCHEMBL25068921 0.73 SYK (0.64) SYKAURKAEGFRBTKITK
SCHEMBL25068908 0.72 SYK (0.57) SYKAURKAEGFRBTKITK
SCHEMBL23409017 0.72 SYK (0.68) SYKAURKAEGFRBTKITK
SCHEMBL22909543 0.72 SYK (0.69) SYKAURKAEGFRBTKITK
SCHEMBL25069047 0.71 SYK (0.60) SYKAURKAEGFRBTKITK

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
EP-3246317-A1 BTK INHIBITOR Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) 2017-11-22 — — EP disclosed
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