SCHEMBL20689160

SCHEMBL20689160

Cc1cc(Nc2cc(N(Cc3ccccc3)Cc3ccccc3)n3ncc(C(N)O)c3n2)cc(N2CCC[C@H](O)C2)n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 6/20 0.52
▸ CDK2 P24941 3/20 0.36
▸ CDK9 P50750 2/20 0.36
▸ P2RY12 Q9H244 1/20 0.34
▸ CDK7 P50613 2/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CCNH P51946 1/20 0.34
▸ MNAT1 P51948 1/20 0.34
▸ SMPD3 Q9NY59 3/20 0.33
▸ RORC P51449 1/20 0.33
▸ DPP4 P27487 1/20 0.32
▸ POLB P06746 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
SCHEMBL20689162 0.88 TYK2 (0.61) TYK2P2RY12
SCHEMBL20696967 0.87 TYK2 (0.69) TYK2P2RY12
SCHEMBL21227420 0.84 TYK2 (0.57) TYK2CDK2P2RY12
SCHEMBL20678825 0.69 TYK2 (0.82) TYK2
SCHEMBL20678831 0.69 TYK2 (0.82) TYK2
SCHEMBL20687722 0.69 TYK2 (0.82) TYK2
SCHEMBL20687721 0.68 TYK2 (1.00) TYK2
SCHEMBL20688292 0.68 TYK2 (0.60) TYK2CDK2SMPD3
SCHEMBL20697163 0.65 TYK2 (0.49) TYK2P2RY12SMPD3
SCHEMBL20688036 0.64 TYK2 (0.56) TYK2SMPD3

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