SCHEMBL18192992

SCHEMBL18192992

O=C(Nc1ccncc1F)c1cnc2c(NC3CC3)cc(N[C@H]3CC[C@H](N(C(=O)O)c4ccccc4Cl)CC3)nn12

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.45
▸ STAT3 P40763 1/20 0.36
▸ PDE4D Q08499 2/20 0.34

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
SCHEMBL18192966 0.91 TYK2 (0.47) TYK2STAT3PDE4D
SCHEMBL18192972 0.90 TYK2 (0.46) TYK2STAT3PDE4D
SCHEMBL18193007 0.89 TYK2 (0.44) TYK2STAT3PDE4D
SCHEMBL18192977 0.87 TYK2 (0.45) TYK2STAT3PDE4D
SCHEMBL18192950 0.86 TYK2 (0.48) TYK2STAT3PDE4D
SCHEMBL3781682 0.85 TYK2 (0.46) TYK2PDE4D
SCHEMBL13062621 0.85 TYK2 (0.46) TYK2PDE4D
SCHEMBL3781686 0.85 TYK2 (0.46) TYK2PDE4D
SCHEMBL14732016 0.85 TYK2 (0.46) TYK2PDE4D
SCHEMBL3781609 0.85 TYK2 (0.50) TYK2STAT3PDE4D

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
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