SCHEMBL20092083

SCHEMBL20092083

CSc1cc(-c2cncn2C)ccc1Nc1cc(NC(=O)C2CC2)nc2c1nc(C(F)F)n2PI

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 11/20 0.51
GSK3B P49841 9/20 0.43
DYRK1A Q13627 9/20 0.43
WNT1 P04628 8/20 0.43

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
SCHEMBL20155856 0.89 TYK2 (0.65) TYK2GSK3BDYRK1AWNT1
SCHEMBL20093004 0.80 TYK2 (0.48) TYK2
SCHEMBL20156093 0.79 TYK2 (0.68) TYK2
SCHEMBL20156159 0.79 TYK2 (0.68) TYK2
SCHEMBL20155831 0.74 TYK2 (0.64) TYK2
SCHEMBL20092428 0.74 TYK2 (0.49) TYK2
SCHEMBL20155784 0.74 TYK2 (0.67) TYK2
SCHEMBL20093178 0.73 TYK2 (0.41) TYK2
SCHEMBL20092094 0.73 TYK2 (0.62) TYK2
SCHEMBL20092204 0.73 TYK2 (0.60) TYK2GSK3BDYRK1AWNT1

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-2018075937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2018-04-26 WO disclosed