SCHEMBL21300924

SCHEMBL21300924

CNc1nc(-c2ccc(F)c(OC(F)(F)F)c2)c(CN2CCCC2C)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 3/20 0.40
▸ JAK2 O60674 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ PRKCG P05129 1/20 0.38
▸ PHKG2 P15735 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ MARK3 P27448 1/20 0.38
▸ PRKCI P41743 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ IRAK1 P51617 1/20 0.38
▸ RPS6KA3 P51812 1/20 0.38
▸ PRKCD Q05655 1/20 0.38
▸ MAP4K2 Q12851 1/20 0.38
▸ STK3 Q13188 1/20 0.38
▸ CAMK2B Q13554 1/20 0.38
▸ CAMK2G Q13555 1/20 0.38
▸ CAMK2D Q13557 1/20 0.38
▸ PKN2 Q16513 1/20 0.38
▸ CDC42BPA Q5VT25 1/20 0.38

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
SCHEMBL21005922 0.86 MPL (0.43) MPLGRM2CRHR1HRH3SLC2A1
SCHEMBL21301055 0.84 CRHR1 (0.41) JAK2ROCK2PRKD3PRKCGPHKG2
SCHEMBL18724209 0.83 JAK2 (0.38) JAK2ROCK2PRKD3PRKCGPHKG2
SCHEMBL18724169 0.82 MAPT (0.39) CRHR1HRH3SLC2A1S1PR1ACHE
SCHEMBL21301073 0.81 MAPK1 (0.43) GRM2CRHR1S1PR1ALDH1A1GAA
SCHEMBL18724292 0.80 CTSS (0.39) MPLCRHR1SLC2A1S1PR1
SCHEMBL18724299 0.80 CRHR1 (0.35) MPLJAK2ROCK2PRKD3PRKCG
SCHEMBL18724337 0.80 CRHR1 (0.40) MPLGRM2CRHR1HRH3SLC2A1
SCHEMBL18724238 0.79 CRHR1 (0.43) MPLCRHR1HRH3SLC2A1ACHE
SCHEMBL17400621 0.79 CRHR1 (0.43) MPLCRHR1HRH3SLC2A1ACHE

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-2963036-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF ASTELLAS PHARMA INC (JP) 2019-08-28 — — EP disclosed
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