SCHEMBL17400502

SCHEMBL17400502

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 7/20 0.41
▸ TRPV4 Q9HBA0 1/20 0.34
▸ BRAF P15056 3/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ ADORA3 P0DMS8 3/20 0.33
▸ ACHE P22303 2/20 0.32
▸ CRHR1 P34998 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ MAPT P10636 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
SCHEMBL17400500 0.94 MPL (0.41) MPLTRPV4BRAFPDCD1CD274
SCHEMBL17400616 0.94 MPL (0.41) MPLTRPV4BRAFPDCD1CD274
SCHEMBL17412730 0.92 TRPV4 (0.35) MPLTRPV4PDCD1CD274ADORA3
SCHEMBL17400674 0.91 MPL (0.51) MPLADORA3S1PR1
SCHEMBL17386604 0.91 MPL (0.51) MPLADORA3S1PR1
SCHEMBL17400637 0.91 MPL (0.51) MPLADORA3S1PR1
Hydrochloric Acid SCHEMBL30938547 0.90 MPL (0.50) MPLADORA3S1PR1
SCHEMBL21007333 0.90 MPL (0.41) MPLTRPV4BRAFPDCD1CD274
SCHEMBL18724465 0.90 MPL (0.41) MPLTRPV4BRAFPDCD1CD274
SCHEMBL17400681 0.89 MPL (0.50) MPLADORA3S1PR1

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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