SCHEMBL18192961

SCHEMBL18192961

O=C(O)CN[C@H]1CC[C@H](Nc2cc(Nc3ccccn3)c3ncc(C(=O)Nc4ccncc4F)n3n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.44
▸ PDE4D Q08499 2/20 0.38
▸ TGFBR1 P36897 1/20 0.36
▸ TGFBR2 P37173 1/20 0.36

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
SCHEMBL3720818 0.92 TYK2 (0.42) TYK2PDE4D
SCHEMBL3720825 0.92 TYK2 (0.42) TYK2PDE4D
SCHEMBL18192991 0.91 TYK2 (0.49) TYK2PDE4D
SCHEMBL3718203 0.89 TYK2 (0.46) TYK2
SCHEMBL3718199 0.89 TYK2 (0.46) TYK2
SCHEMBL3779397 0.88 TYK2 (0.52) TYK2PDE4D
SCHEMBL3779403 0.88 TYK2 (0.52) TYK2PDE4D
SCHEMBL18193004 0.88 TYK2 (0.41) TYK2PDE4DTGFBR1TGFBR2
SCHEMBL13062355 0.88 TYK2 (0.47) TYK2PDE4D
SCHEMBL3724153 0.88 TYK2 (0.45) TYK2PDE4D

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-2240488-B1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-02 — — EP claimed
Send feedback