SCHEMBL4623629

SCHEMBL4623629

Nc1ncc(-c2cccc(OC(F)(F)F)c2)cc1-c1ccc(O)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 12/20 0.72
▸ USP7 Q93009 4/20 0.61
▸ MAP4K4 O95819 2/20 0.57
▸ CHEK2 O96017 4/20 0.54
▸ CHEK1 O14757 1/20 0.50
▸ MINK1 Q8N4C8 1/20 0.48
▸ TNIK Q9UKE5 1/20 0.48
▸ BMPR1A P36894 1/20 0.47
▸ TGFBR1 P36897 1/20 0.47
▸ ACVRL1 P37023 1/20 0.47
▸ ACVR1 Q04771 1/20 0.47

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
SCHEMBL30521818 0.84 FYN (1.00) FYNUSP7MAP4K4CHEK2CHEK1
SCHEMBL4620276 0.84 FYN (1.00) FYNUSP7MAP4K4CHEK2CHEK1
SCHEMBL4620369 0.80 USP7 (0.73) FYNUSP7MAP4K4CHEK2MINK1
SCHEMBL5379608 0.80 ESR1 (0.55) —
SCHEMBL2226239 0.78 MAP4K4 (0.65) FYNMAP4K4CHEK2CHEK1MINK1
SCHEMBL27885069 0.78 MAP4K4 (0.47) FYNUSP7MAP4K4CHEK2CHEK1
SCHEMBL4025534 0.76 MAP4K4 (0.57) MAP4K4
SCHEMBL2559138 0.75 ATR (0.46) FYNMAP4K4CHEK2
SCHEMBL2554637 0.74 ADORA1 (0.46) FYNMAP4K4CHEK2
SCHEMBL4620617 0.74 USP7 (0.69) FYNUSP7MAP4K4CHEK2MINK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900727-A1 Aminopyridine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 — — EP claimed
WO-2008025820-A1 AMINOPYRIDINE DERIVATES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 — — WO claimed
EP-1900727-A1 Aminopyridine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 — — EP disclosed
WO-2008025820-A1 AMINOPYRIDINE DERIVATES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 — — WO disclosed
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