SCHEMBL22421824

SCHEMBL22421824

CCCSNc1cccc(N2CCOC2=O)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 13/20 0.46
▸ TYK2 P29597 1/20 0.43
▸ PIK3CD O00329 3/20 0.35
▸ PIK3CA P42336 3/20 0.35
▸ PIK3CB P42338 3/20 0.35
▸ PIM1 P11309 2/20 0.34
▸ MAP4K1 Q92918 1/20 0.32

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
SCHEMBL20688041 0.79 IDH1 (0.50) IDH1TYK2PIK3CDPIK3CAPIK3CB
SCHEMBL20697244 0.77 IDH1 (0.54) IDH1TYK2PIK3CDPIK3CAPIK3CB
SCHEMBL20697242 0.76 IDH1 (0.58) IDH1TYK2PIK3CDPIK3CAPIK3CB
SCHEMBL20889875 0.75 IDH1 (0.44) IDH1TYK2PIM1MAP4K1
SCHEMBL20909898 0.72 RECQL (0.50) IDH1TYK2PIM1
SCHEMBL20689588 0.70 TYK2 (0.45) IDH1TYK2PIM1MAP4K1
SCHEMBL31262446 0.70 TYK2 (0.45) IDH1TYK2PIM1MAP4K1
SCHEMBL23967033 0.69 HTR3E (0.45) IDH1TYK2PIK3CAPIM1MAP4K1
SCHEMBL4780 0.69 ALOX5 (0.46) IDH1TYK2PIM1MAP4K1
SCHEMBL20890070 0.69 IDH1 (0.48) IDH1TYK2PIK3CDPIK3CAPIK3CB

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
EP-3377496-B1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2020-09-16 — — EP disclosed
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