SCHEMBL17400568

SCHEMBL17400568

COc1ccc(-c2nc(NC(=O)c3cnc(N4CCC(C(=O)O)CC4)cn3)sc2CN2CC[C@@H](C)C2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 11/20 0.52
▸ ADORA3 P0DMS8 3/20 0.42
▸ S1PR1 P21453 1/20 0.41
▸ ITGB2 P05107 1/20 0.40
▸ ICAM1 P05362 1/20 0.40
▸ ITGAL P20701 1/20 0.40
▸ PDCD1 Q15116 2/20 0.40
▸ CD274 Q9NZQ7 2/20 0.40
▸ ACHE P22303 2/20 0.39

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
SCHEMBL17400716 1.00 MPL (0.52) MPLADORA3S1PR1ITGB2ICAM1
SCHEMBL17400640 0.96 MPL (0.51) MPLADORA3S1PR1ITGB2ICAM1
SCHEMBL17400577 0.96 MPL (0.53) MPLADORA3S1PR1ITGB2ICAM1
SCHEMBL17400509 0.94 MPL (0.52) MPLADORA3S1PR1ITGB2ICAM1
SCHEMBL17400680 0.94 MPL (0.52) MPLADORA3S1PR1ITGB2ICAM1
SCHEMBL18470814 0.94 MPL (0.52) MPLADORA3S1PR1ITGB2ICAM1
SCHEMBL17400670 0.93 MPL (0.51) MPLADORA3S1PR1ITGB2ICAM1
SCHEMBL17400713 0.93 MPL (0.53) MPLADORA3S1PR1ITGB2ICAM1
SCHEMBL17400506 0.92 MPL (0.54) MPLADORA3S1PR1ITGB2ICAM1
SCHEMBL17400571 0.92 MPL (0.52) MPLADORA3S1PR1ITGB2ICAM1

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 3 patents. 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
US-9562044-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2017-02-07 — — US disclosed
EP-2963036-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF Astellas Pharma Inc. (JP) 2016-01-06 — — EP disclosed
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