SCHEMBL30452574

SCHEMBL30452574

COC(=O)Cc1ccc(-c2cnn(C)c2)nc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.51
▸ CYP11B2 P19099 1/20 0.51
▸ EGFR P00533 1/20 0.47
▸ MAPK8 P45983 1/20 0.43
▸ KCNJ1 P48048 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ FGFR2 P21802 1/20 0.42
▸ FGFR3 P22607 1/20 0.42
▸ CHRM1 P11229 5/20 0.42
▸ CSF1R P07333 1/20 0.41
▸ EP300 Q09472 2/20 0.41
▸ CLK1 P49759 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41
▸ CHEK1 O14757 1/20 0.40

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
SCHEMBL28440183 1.00 CYP11B1 (0.51) CYP11B1CYP11B2EGFRMAPK8KCNJ1
SCHEMBL28895642 0.85 CYP11B1 (0.54) CYP11B1CYP11B2KCNJ1NPC1RAB9A
SCHEMBL25242176 0.83 MAPK8 (0.51) EGFRMAPK8CHRM1CLK1MKNK1
SCHEMBL17090962 0.79 CYP11B1 (0.54) CYP11B1CYP11B2KCNJ1USP30CHRM1
SCHEMBL2362506 0.79 CYP11B1 (0.59) CYP11B1CYP11B2KCNJ1FGFR3MKNK1
SCHEMBL14906787 0.77 CYP11B1 (0.60) CYP11B1CYP11B2KCNJ1NPC1RAB9A
SCHEMBL17121368 0.77 DYRK1A (0.48) CYP11B1CYP11B2KCNJ1CHRM1CSF1R
SCHEMBL877044 0.77 MEN1 (0.47) EGFRNPC1ALDH1A1RAB9A
SCHEMBL31506073 0.76 CTSV (0.49) EGFRMAPK8CLK1
SCHEMBL1559773 0.76 ABL1 (0.49) EGFRMAPK8USP30FGFR1FGFR3

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
CN-111484479-B Azacyclic compounds, pharmaceutical compositions containing the same, and methods of making and using the same 四川科伦博泰生物医药股份有限公司 2023-06-13 — — CN disclosed
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