SCHEMBL17400501

SCHEMBL17400501

COc1ccc(-c2nc(NC(=O)c3cnc(N4CCC(C(=O)O)CC4)cn3)sc2CN2CCC[C@H]2C)cc1OC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 12/20 0.48
▸ ADORA3 P0DMS8 4/20 0.42
▸ NEK2 P51955 1/20 0.38
▸ CHRM4 P08173 1/20 0.37
▸ WNT3A P56704 1/20 0.36
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL18470604 0.98 MPL (0.48) MPLADORA3NEK2CHRM4PDCD1
SCHEMBL21301162 0.98 MPL (0.48) MPLADORA3NEK2CHRM4PDCD1
SCHEMBL17400652 0.93 MPL (0.47) MPLADORA3NEK2CHRM4PDCD1
SCHEMBL17400698 0.93 MPL (0.57) MPLADORA3
SCHEMBL17412810 0.92 ADORA3 (0.43) MPLADORA3NEK2PDCD1CD274
SCHEMBL18470816 0.92 MPL (0.51) MPLADORA3
SCHEMBL17400629 0.92 MPL (0.49) MPLADORA3
SCHEMBL17400668 0.92 MPL (0.51) MPLADORA3
SCHEMBL17400513 0.92 MPL (0.51) MPLADORA3
SCHEMBL17400641 0.91 MPL (0.45) MPLADORA3NEK2CHRM4

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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