SCHEMBL16794659

SCHEMBL16794659

CNc1cc(Nc2ccnn(-c3ccccc3)c2=O)nn2c(C(N)=O)c(C3CCC3)nc12

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.46
▸ PDE4D Q08499 2/20 0.37
▸ CFTR P13569 1/20 0.35

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
SCHEMBL31218819 0.73 TYK2 (0.46) TYK2PDE4D
SCHEMBL31218754 0.67 TYK2 (0.49) TYK2PDE4D
SCHEMBL20697100 0.63 TYK2 (1.00) TYK2
SCHEMBL20678916 0.59 TYK2 (1.00) TYK2
SCHEMBL18692248 0.59 CFTR (0.55) CFTR
SCHEMBL31218703 0.58 TYK2 (0.70) TYK2PDE4D
SCHEMBL24263296 0.58 TYK2 (0.78) TYK2PDE4D
SCHEMBL29754460 0.58 TYK2 (0.78) TYK2PDE4D
SCHEMBL18717671 0.58 CFTR (0.64) CFTR
SCHEMBL5189021 0.58 RIPK2 (0.55) —

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
EP-3080131-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES Bristol-Myers Squibb Company (US) 2016-10-19 — — EP disclosed
WO-2015089143-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-18 — — WO disclosed
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