SCHEMBL17400652

SCHEMBL17400652

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 11/20 0.47
▸ ADORA3 P0DMS8 4/20 0.41
▸ NEK2 P51955 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.35

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
SCHEMBL17400641 0.94 MPL (0.45) MPLADORA3NEK2CHRM4
SCHEMBL17400501 0.93 MPL (0.48) MPLADORA3NEK2CHRM4PDCD1
SCHEMBL17412725 0.93 MPL (0.42) MPLADORA3NEK2PDCD1CD274
SCHEMBL17400638 0.92 MPL (0.49) MPLADORA3
SCHEMBL17400637 0.92 MPL (0.51) MPLADORA3
SCHEMBL17400674 0.92 MPL (0.51) MPLADORA3
SCHEMBL17386604 0.92 MPL (0.51) MPLADORA3
Hydrochloric Acid SCHEMBL30938547 0.92 MPL (0.50) MPLADORA3
SCHEMBL18470604 0.91 MPL (0.48) MPLADORA3NEK2CHRM4PDCD1
SCHEMBL21301162 0.91 MPL (0.48) MPLADORA3NEK2CHRM4PDCD1

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
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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