SCHEMBL14732157

SCHEMBL14732157

CC(C)CN(C)C(=O)NC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccncc4F)n3n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 18/20 0.44
▸ PDE4D Q08499 2/20 0.39
▸ TTK P33981 2/20 0.38

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
SCHEMBL13062266 1.00 TYK2 (0.44) TYK2PDE4DTTK
SCHEMBL3775471 0.92 TYK2 (0.46) TYK2PDE4DTTK
SCHEMBL3775469 0.92 TYK2 (0.46) TYK2PDE4DTTK
SCHEMBL3769548 0.91 TYK2 (0.45) TYK2PDE4DTTK
SCHEMBL3769543 0.91 TYK2 (0.45) TYK2PDE4DTTK
SCHEMBL3780513 0.90 TYK2 (0.46) TYK2PDE4DTTK
SCHEMBL3780517 0.90 TYK2 (0.46) TYK2PDE4DTTK
SCHEMBL3781549 0.90 TYK2 (0.49) TYK2PDE4DTTK
SCHEMBL3783025 0.90 TYK2 (0.49) TYK2PDE4DTTK
SCHEMBL3821447 0.89 TYK2 (0.44) TYK2PDE4DTTK

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
US-8389527-B2 Substituted imidazopyridazines useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-05 — — US claimed
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