SCHEMBL21301050

SCHEMBL21301050

COc1ccc(-c2nc(NC(=O)c3cnc(N4CCC(C(=O)O)CC4)cn3)sc2CN2CCCCC2C)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 11/20 0.45
▸ ADORA3 P0DMS8 4/20 0.44
▸ TRPV4 Q9HBA0 1/20 0.39
▸ PDCD1 Q15116 2/20 0.38
▸ CD274 Q9NZQ7 2/20 0.38
▸ SAE1 Q9UBE0 1/20 0.38

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
SCHEMBL17400489 1.00 MPL (0.45) MPLADORA3TRPV4PDCD1CD274
SCHEMBL17412779 0.92 ADORA3 (0.42) MPLADORA3TRPV4PDCD1CD274
SCHEMBL17412745 0.92 ADORA3 (0.42) MPLADORA3TRPV4PDCD1CD274
SCHEMBL17400648 0.91 ADORA3 (0.42) MPLADORA3TRPV4
SCHEMBL17400494 0.91 MPL (0.50) MPLADORA3TRPV4
SCHEMBL17400635 0.91 MPL (0.45) MPLADORA3TRPV4PDCD1CD274
SCHEMBL21301162 0.90 MPL (0.48) MPLADORA3TRPV4PDCD1CD274
SCHEMBL18470604 0.90 MPL (0.48) MPLADORA3TRPV4PDCD1CD274
SCHEMBL18470736 0.90 ADORA3 (0.44) MPLADORA3TRPV4PDCD1CD274
SCHEMBL17400544 0.90 MPL (0.47) MPLADORA3PDCD1CD274

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 1 patent. 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
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