SCHEMBL4619482

SCHEMBL4619482

COc1ncc(-c2cnc(N)c(-c3cccc(CO)c3)c2)c(OC)n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 13/20 0.57
PTGES2 Q9H7Z7 1/20 0.46
CTSL P07711 1/20 0.46
QPCT Q16769 1/20 0.43
QPCTL Q9NXS2 1/20 0.43
MAP4K4 O95819 1/20 0.43
CHEK2 O96017 1/20 0.43
BMPR1A P36894 1/20 0.42
TGFBR1 P36897 1/20 0.42
ACVRL1 P37023 1/20 0.42
ACVR1 Q04771 1/20 0.42
F2RL3 Q96RI0 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL16675754 0.89 QPCT (0.51) FYNPTGES2CTSLQPCTQPCTL
SCHEMBL4727204 0.84 PTGES2 (0.47) FYNPTGES2QPCTQPCTLMAP4K4
SCHEMBL978966 0.77 QPCT (0.53) FYNPTGES2QPCTQPCTLMAP4K4
SCHEMBL15349707 0.75 PRKCI (0.51) FYNCHEK2
SCHEMBL3767625 0.73 QPCT (0.54) PTGES2QPCTQPCTLKDM4EMEN1
SCHEMBL20486031 0.73 FYN (1.00) FYNMAP4K4CHEK2
SCHEMBL30521703 0.73 FYN (1.00) FYNMAP4K4CHEK2
SCHEMBL18613247 0.72 FYN (1.00) FYN
SCHEMBL30521820 0.72 FYN (1.00) FYN
SCHEMBL3660129 0.72 DYRK1A (0.57) FYNPTGES2QPCTQPCTLCHEK2

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 2 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
EP-1900727-A1 Aminopyridine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP disclosed