SCHEMBL22685302

SCHEMBL22685302

C#Cc1ccc(C(=O)NC2(C3=CCC(C)(c4cccnc4C)C=N3)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CXCR3 P49682 1/20 0.32
▸ ROCK2 O75116 1/20 0.30

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
SCHEMBL22685305 0.71 MKNK1 (0.41) CTSLCTSBCTSSCXCR3ROCK2
SCHEMBL22685306 0.69 IDO1 (0.41) CTSLCTSBCTSSCXCR3
SCHEMBL22685085 0.62 AKT1 (0.38) CTSLCTSBCTSSCXCR3ROCK2
SCHEMBL22686792 0.61 PDE2A (0.43) CXCR3
SCHEMBL22686795 0.60 BTK (0.38) CTSLCTSBCTSS
SCHEMBL22685301 0.60 CTSL (0.40) CTSLCTSBCTSS
SCHEMBL28417132 0.59 CTSL (0.48) CTSLCTSBCTSS
SCHEMBL22685090 0.59 CD274 (0.43) CTSLCTSBCTSSROCK2
SCHEMBL22657417 0.58 MKNK1 (0.45) CTSLCTSBCTSSCXCR3
SCHEMBL22657410 0.58 WDR91 (0.40) CTSLCTSBCTSSCXCR3

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
WO-2020228823-A1 NOVEL AMIDE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2020-11-19 — — WO disclosed
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