SCHEMBL26463431

SCHEMBL26463431

Cc1ccncc1-c1ccc2[nH]c(N)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.52
▸ CLK2 P49760 2/20 0.49
▸ CLK3 P49761 2/20 0.49
▸ DYRK1A Q13627 2/20 0.49
▸ CYP11B1 P15538 4/20 0.48
▸ CYP11B2 P19099 4/20 0.48
▸ FABP6 P51161 1/20 0.47
▸ WNT1 P04628 3/20 0.45
▸ PRMT5 O14744 1/20 0.42
▸ WDR77 Q9BQA1 1/20 0.42
▸ DHODH Q02127 1/20 0.39
▸ MASP2 O00187 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NUDT1 P36639 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ AOC3 Q16853 1/20 0.39
▸ MAP4K1 Q92918 1/20 0.39
▸ KIT P10721 1/20 0.38
▸ PDGFRA P16234 1/20 0.38

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
SCHEMBL30494494 1.00 ABL1 (0.52) ABL1CLK2CLK3DYRK1ACYP11B1
SCHEMBL5680411 0.81 TRPA1 (0.52) ABL1FABP6MASP2MEN1ALDH1A1
SCHEMBL26463643 0.80 CYP11B1 (0.55) ABL1CLK2CLK3DYRK1ACYP11B1
SCHEMBL30494300 0.80 CYP11B1 (0.55) ABL1CLK2CLK3DYRK1ACYP11B1
SCHEMBL16848371 0.77 JAK2 (0.50) FABP6MASP2MEN1ALDH1A1NUDT1
SCHEMBL30494142 0.76 ABL1 (0.56) ABL1CLK2CLK3DYRK1ACYP11B1
SCHEMBL26100602 0.76 ABL1 (0.56) ABL1CLK2CLK3DYRK1ACYP11B1
SCHEMBL14395420 0.75 ALDH1A1 (0.52) CLK2CLK3DYRK1ACYP11B1CYP11B2
SCHEMBL30494163 0.74 CLK2 (0.48) ABL1CLK2CLK3DYRK1ACYP11B1
SCHEMBL26463103 0.74 ABL1 (0.48) ABL1CLK2CLK3DYRK1ACYP11B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118176181-A SARM1 modulators, their preparation and use 维泰瑞隆有限公司 2024-06-11 — — CN disclosed
WO-2023072026-A1 SARM1 MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-05-04 — — WO disclosed
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