SCHEMBL4621266

SCHEMBL4621266

COCOc1ccc(-c2cc(-c3ccc(N)nc3)cnc2N)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 10/20 0.70
▸ MAP4K4 O95819 5/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ KCNH2 Q12809 1/20 0.59
▸ MINK1 Q8N4C8 1/20 0.59
▸ TNIK Q9UKE5 1/20 0.59
▸ CHEK2 O96017 3/20 0.54
▸ USP7 Q93009 1/20 0.47
▸ CHEK1 O14757 1/20 0.46
▸ TGFBR1 P36897 1/20 0.46

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
SCHEMBL18613233 0.82 FYN (1.00) FYNCHEK2TGFBR1
SCHEMBL18613475 0.81 FYN (1.00) FYNMAP4K4CHEK2CHEK1
SCHEMBL20486031 0.80 FYN (1.00) FYNMAP4K4CHEK2USP7CHEK1
SCHEMBL30521703 0.80 FYN (1.00) FYNMAP4K4CHEK2USP7CHEK1
SCHEMBL18613268 0.78 FYN (1.00) FYNMAP4K4CHEK2CHEK1
SCHEMBL30521908 0.78 FYN (1.00) FYNMAP4K4CHEK2CHEK1
SCHEMBL18613246 0.75 FYN (1.00) FYNMAP4K4CHEK2USP7CHEK1
SCHEMBL29508267 0.75 MAP4K4 (1.00) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL19048531 0.70 MAP4K4 (0.59) FYNMAP4K4CYP1A2KCNH2MINK1
SCHEMBL2682065 0.69 SLC2A1 (0.67) FYNMAP4K4CYP1A2KCNH2MINK1

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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