SCHEMBL22685209

SCHEMBL22685209

Cc1cc(C#N)ncc1-c1ccc(C2(C)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 3/20 0.41
▸ MAP4K1 Q92918 1/20 0.37
▸ CYP11B1 P15538 2/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ OPRM1 P35372 4/20 0.35
▸ OPRL1 P41146 4/20 0.35
▸ CHEK1 O14757 4/20 0.34
▸ ACHE P22303 2/20 0.34
▸ CLK1 P49759 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ HIPK1 Q86Z02 1/20 0.33
▸ HIPK2 Q9H2X6 1/20 0.33
▸ HIPK3 Q9H422 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ POLQ O75417 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL22685202 0.72 WDR91 (0.40) MAP4K1MAP4K4
SCHEMBL22438850 0.72 EGLN1 (0.44) CYP11B1CYP11B2MAP4K4
SCHEMBL30546855 0.68 POLB (0.51) EGLN2CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL29248897 0.68 POLB (0.51) EGLN2CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL24572229 0.66 ESR2 (0.41) EGLN2CHEK1
SCHEMBL1643568 0.66 NOS3 (0.44) EGLN2OPRM1OPRL1CHEK1POLQ
SCHEMBL16455701 0.65 CYP11B2 (0.49) EGLN2CYP11B1CYP11B2POLQMAP4K4
SCHEMBL19901149 0.65 EGLN2 (0.48) EGLN2CHEK1KDM4EALDH1A1HPGD
SCHEMBL703760 0.64 CYP2A6 (0.46) OPRM1OPRL1ALDH1A1
SCHEMBL22685235 0.64 CLK1 (0.35) CYP11B1CYP11B2CLK1CLK2HIPK1

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
Send feedback