SCHEMBL2717328

SCHEMBL2717328

COc1ncc(C(N)=O)c(Nc2ccc3ncccc3c2)n1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 14/20 0.66
▸ MAPK8 P45983 1/20 0.52
▸ MAPK9 P45984 1/20 0.52
▸ AURKB Q96GD4 1/20 0.51
▸ TNIK Q9UKE5 1/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALOX15 P16050 1/20 0.45
▸ HTT P42858 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
SCHEMBL16202734 0.85 SYK (0.66) SYKMAPK8MAPK9AURKBNPC1
SCHEMBL2627366 0.83 SYK (0.62) SYKMAPK8MAPK9NPC1RAB9A
SCHEMBL2627261 0.80 SYK (1.00) SYKMAPK8MAPK9AURKBNPC1
SCHEMBL2716637 0.80 NPC1 (0.63) SYKMAPK8NPC1RAB9AMEN1
SCHEMBL13624991 0.79 SYK (0.68) SYKMAPK8AURKB
SCHEMBL16782402 0.79 SYK (0.63) SYKMAPK8MAPK9AURKBNPC1
SCHEMBL18926157 0.78 SYK (0.57) SYKMAPK8NPC1RAB9AMEN1
SCHEMBL14977146 0.78 SYK (0.75) SYK
SCHEMBL16194907 0.78 SYK (0.75) SYK
SCHEMBL2713766 0.77 SYK (0.56) SYKMAPK8NPC1RAB9AMEN1

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
WO-2012061415-A1 OXYPYRIMIDINES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO disclosed
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