SCHEMBL22272971

SCHEMBL22272971

Cc1c[nH]c2c(C3CCOCC3)cc(Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 1/20 0.42
▸ MAP3K12 Q12852 10/20 0.35
▸ CNR2 P34972 2/20 0.33
▸ PRKAB2 O43741 2/20 0.31
▸ PRKAG1 P54619 2/20 0.31
▸ PRKAA2 P54646 2/20 0.31
▸ PRKAA1 Q13131 2/20 0.31
▸ PRKAG3 Q9UGI9 2/20 0.31
▸ PRKAG2 Q9UGJ0 2/20 0.31
▸ PRKAB1 Q9Y478 2/20 0.31
▸ SHMT1 P34896 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ NR3C1 P04150 1/20 0.30
▸ PGR P06401 1/20 0.30
▸ IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL20688114 0.83 TYK2 (0.41) TYK2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL20689612 0.83 TYK2 (0.40) TYK2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL20689613 0.71 FAAH (0.36) TYK2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16727213 0.69 CYP1A2 (0.42) —
SCHEMBL16727195 0.66 AR (0.46) —
SCHEMBL30993024 0.66 TYK2 (0.42) TYK2CNR2SLC6A4
SCHEMBL25418170 0.64 IDO1 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17739571 0.64 METAP2 (0.42) TYK2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL25293329 0.63 CHRNB2 (0.36) SLC6A4
SCHEMBL29559817 0.62 MEN1 (0.47) SHMT1

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