SCHEMBL17400616

SCHEMBL17400616

CC[C@@H]1CCCN1Cc1sc(NC(=O)c2cnc(N3CCC(OC)(C(=O)O)CC3)cn2)nc1-c1ccc(OC)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 6/20 0.41
▸ CHRM4 P08173 3/20 0.34
▸ BRAF P15056 5/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.34
▸ PDCD1 Q15116 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ ADORA3 P0DMS8 2/20 0.32
▸ ACHE P22303 1/20 0.32
▸ CRHR1 P34998 1/20 0.32

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
SCHEMBL17400502 0.94 MPL (0.41) MPLBRAFTRPV4PDCD1CD274
SCHEMBL17400500 0.94 MPL (0.41) MPLBRAFTRPV4PDCD1CD274
SCHEMBL17412762 0.91 PDCD1 (0.34) MPLCHRM4TRPV4PDCD1CD274
SCHEMBL17400674 0.90 MPL (0.51) MPLADORA3
SCHEMBL17386604 0.90 MPL (0.51) MPLADORA3
SCHEMBL17400637 0.90 MPL (0.51) MPLADORA3
Hydrochloric Acid SCHEMBL30938547 0.90 MPL (0.50) MPLADORA3
SCHEMBL21007333 0.89 MPL (0.41) MPLBRAFTRPV4PDCD1CD274
SCHEMBL18724465 0.89 MPL (0.41) MPLBRAFTRPV4PDCD1CD274
SCHEMBL17400681 0.89 MPL (0.50) MPLADORA3

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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