SCHEMBL18724209

SCHEMBL18724209

CNc1nc(-c2cc(C)cc(OC(F)(F)F)c2)c(CN2CCCC2C)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ TAOK1 Q7L7X3 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
SCHEMBL21301049 0.92 JAK2 (0.44) JAK2ROCK2PRKD3PRKCGPHKG2
SCHEMBL21301055 0.90 CRHR1 (0.41) JAK2ROCK2PRKD3PRKCGPHKG2
SCHEMBL17387068 0.89 OGA (0.41) JAK2ROCK2PRKD3PRKCGPHKG2
SCHEMBL17386652 0.87 JAK2 (0.39) JAK2ROCK2PRKD3PRKCGPHKG2
SCHEMBL18724139 0.84 CRHR1 (0.40) CRHR1HRH3KMT2A
SCHEMBL21300924 0.83 MPL (0.40) JAK2ROCK2PRKD3PRKCGPHKG2
SCHEMBL17386781 0.82 MEN1 (0.37) JAK2ROCK2PRKD3PRKCGPHKG2
SCHEMBL21007139 0.82 MEN1 (0.37) JAK2ROCK2PRKD3PRKCGPHKG2
SCHEMBL21301017 0.81 CRHR1 (0.40) CRHR1SLC2A1HRH3ACHETRPV4
SCHEMBL17400676 0.81 CRHR1 (0.40) CRHR1SLC2A1HRH3ACHETRPV4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3153511-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE FOR USE IN THE PREVENTION OR TREATMENT OF BLADDER/URINARY TRACT DISEASES ASTELLAS PHARMA INC (JP) 2019-05-15 — — EP disclosed
EP-3153511-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2017-04-12 — — EP disclosed
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