SCHEMBL22685301

SCHEMBL22685301

C#Cc1ccc(C(=O)NC2(c3ccc(-c4ccc(NC)nc4)cn3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ HCAR3 P49019 1/20 0.39
▸ NNMT P40261 1/20 0.39
▸ DYRK1A Q13627 1/20 0.37
▸ DGAT1 O75907 3/20 0.36
▸ DEGS1 O15121 1/20 0.36
▸ APP P05067 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ CDK7 P50613 1/20 0.33
▸ CDK13 Q14004 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C8 P10632 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ IDO1 P14902 1/20 0.33

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
SCHEMBL22684819 0.81 PTPN1 (0.42) CTSLCTSBCTSSDGAT1HDAC6
SCHEMBL22657413 0.79 DEGS1 (0.42) CTSLCTSBCTSSDGAT1DEGS1
SCHEMBL22657417 0.75 MKNK1 (0.45) CTSLCTSBCTSSNNMTDYRK1A
SCHEMBL22685090 0.73 CD274 (0.43) CTSLCTSBCTSSDEGS1HDAC6
SCHEMBL22686796 0.72 BTK (0.38) CTSLCTSBCTSSHPGDHDAC6
SCHEMBL22685087 0.72 CXCR3 (0.41) CTSLCTSBCTSSDYRK1ADGAT1
SCHEMBL22685088 0.71 CTSL (0.44) CTSLCTSBCTSSDEGS1EGLN1
SCHEMBL22685305 0.69 MKNK1 (0.41) CTSLCTSBCTSSHDAC6EGLN1
SCHEMBL22685161 0.69 PTPN1 (0.46) CTSLCTSBCTSSDGAT1HDAC6
SCHEMBL22685160 0.69 WDR91 (0.41) CTSLCTSBCTSSDEGS1HDAC6

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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