SCHEMBL22864052

SCHEMBL22864052

Cc1ccc2[nH]ncc2c1CCNC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ MAP4K1 Q92918 3/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ CDK2 P24941 3/20 0.33
▸ FLT3 P36888 2/20 0.33
▸ CCNA1 P78396 2/20 0.33
▸ HRH4 Q9H3N8 2/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ AXL P30530 2/20 0.33
▸ DHPS P49366 1/20 0.32
▸ NOS1 P29475 3/20 0.32
▸ CCNE1 P24864 1/20 0.31
▸ CDK3 Q00526 1/20 0.31
▸ ESR1 P03372 3/20 0.31
▸ ESR2 Q92731 3/20 0.31

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
SCHEMBL25791157 0.77 AKT2 (0.43) JAK2JAK1MAP4K1IDO1CDK2
SCHEMBL20850537 0.75 CDK2 (0.43) MAP4K1IDO1CDK2FLT3CCNA1
SCHEMBL21986864 0.73 IDO1 (0.40) MAP4K1IDO1CDK2CCNA1AXL
SCHEMBL21986879 0.73 NOS1 (0.42) MAP4K1IDO1CDK2FLT3CCNA1
SCHEMBL24630980 0.71 HIF1A (0.37) IDO1
SCHEMBL21099841 0.70 HRH4 (0.41) HRH4HRH3
SCHEMBL22757498 0.69 ESR2 (0.38) MAP4K1IDO1CDK2FLT3CCNA1
SCHEMBL17030759 0.68 IDO1 (0.41) JAK2JAK1IDO1CDK2FLT3
SCHEMBL21938210 0.68 IDO1 (0.38) IDO1CDK2FLT3CCNA1AXL
SCHEMBL4133588 0.68 NOS1 (0.50) JAK2JAK1IDO1CDK2FLT3

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-2021003161-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2021-01-07 — — WO disclosed
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