SCHEMBL22685235

SCHEMBL22685235

Cc1nc(C(F)(F)F)ncc1-c1ccc(C2(C)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ HIPK1 Q86Z02 1/20 0.35
▸ HIPK2 Q9H2X6 1/20 0.35
▸ HIPK3 Q9H422 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ GABBR2 O75899 7/20 0.34
▸ GABBR1 Q9UBS5 7/20 0.34
▸ RECQL P46063 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ BACE1 P56817 1/20 0.30
▸ BACE2 Q9Y5Z0 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
SCHEMBL22685253 0.74 PDE2A (0.42) IDO1
SCHEMBL22686782 0.68 CLK1 (0.33) CLK1CLK2HIPK1HIPK2HIPK3
SCHEMBL26941926 0.66 CLK1 (0.33) CLK1CLK2HIPK1HIPK2HIPK3
SCHEMBL24448654 0.64 TRPV4 (0.47) —
SCHEMBL13838853 0.64 OPRL1 (0.52) —
SCHEMBL19302652 0.64 SORT1 (0.35) —
SCHEMBL22685209 0.64 EGLN2 (0.41) CLK1CLK2HIPK1HIPK2HIPK3
SCHEMBL22686809 0.63 RAB9A (0.36) —
SCHEMBL22732516 0.63 USP1 (0.36) CLK1CLK2HIPK1HIPK2HIPK3
Ammonia Solution, Strong SCHEMBL793057 0.63 OPRL1 (0.50) —

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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