SCHEMBL4622807

SCHEMBL4622807

COCc1cccc(-c2cc(-c3ccc(C(=O)NC4CC4)cc3)cnc2N)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 4/20 0.65
▸ TTK P33981 1/20 0.51
▸ CHEK2 O96017 4/20 0.50
▸ CHEK1 O14757 1/20 0.50
▸ BMPR1B O00238 3/20 0.49
▸ BMPR1A P36894 3/20 0.49
▸ ACVRL1 P37023 3/20 0.49
▸ ACVR1 Q04771 3/20 0.49
▸ TGFBR1 P36897 2/20 0.49
▸ USP7 Q93009 1/20 0.48
▸ AXL P30530 3/20 0.47
▸ MERTK Q12866 3/20 0.47
▸ MAP4K4 O95819 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MKNK1 Q9BUB5 1/20 0.45

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
SCHEMBL2225948 0.81 FYN (0.76) FYNCHEK2CHEK1BMPR1BBMPR1A
SCHEMBL4621190 0.80 FYN (0.80) FYNCHEK2CHEK1TGFBR1
SCHEMBL13968136 0.80 FYN (0.70) FYNTTKCHEK2BMPR1BBMPR1A
SCHEMBL18613238 0.79 FYN (1.00) FYNCHEK2CHEK1BMPR1AACVRL1
SCHEMBL1679554 0.76 PRKD3 (0.70) FYNCHEK2CHEK1MAP4K4
SCHEMBL4620931 0.73 FYN (0.65) FYNACVR1TGFBR1
SCHEMBL6838760 0.71 MERTK (0.60) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL2750178 0.70 FYN (0.55) FYNCHEK2BMPR1BBMPR1AACVRL1
SCHEMBL4621070 0.70 FYN (0.53) FYNCHEK2CHEK1BMPR1AACVRL1
SCHEMBL18616701 0.70 BMPR1B (0.71) FYNBMPR1BBMPR1AACVRL1ACVR1

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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