SCHEMBL20688189

SCHEMBL20688189

CNc1cccc(N2CCO[C@@]3(CCOC3)C2)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 1/20 0.39
▸ TYK2 P29597 4/20 0.36
▸ KIF18A Q8NI77 8/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ ELOVL1 Q9BW60 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ SYK P43405 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ STK3 Q13188 1/20 0.33
▸ HIPK4 Q8NE63 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33

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
SCHEMBL20688222 1.00 SOS1 (0.39) SOS1TYK2KIF18AALDH1A1ELOVL1
SCHEMBL20688212 0.87 SOS1 (0.37) SOS1TYK2KIF18AELOVL1ACACB
SCHEMBL20696784 0.87 SOS1 (0.42) SOS1TYK2KIF18AELOVL1ACACB
SCHEMBL21285288 0.87 SOS1 (0.37) SOS1TYK2KIF18AELOVL1ACACB
SCHEMBL21245952 0.87 SOS1 (0.42) SOS1TYK2KIF18AELOVL1ACACB
SCHEMBL21245951 0.87 SOS1 (0.42) SOS1TYK2KIF18AELOVL1ACACB
SCHEMBL21227382 0.82 TYK2 (0.46) TYK2KIF18AACACBSYKPIK3CA
SCHEMBL20689076 0.81 GRIN2D (0.40) SOS1KIF18AELOVL1PIK3CA
SCHEMBL20689481 0.77 POLB (0.36) SOS1ALDH1A1ELOVL1
SCHEMBL13073621 0.76 ALDH1A1 (0.49) KIF18AALDH1A1PIK3CACLK2GSK3A

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
WO-2020154474-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-07-30 — — WO disclosed
WO-2019023468-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2019-01-31 — — WO disclosed
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