SCHEMBL11963147

SCHEMBL11963147

COCCOc1ccc2c(N)n[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.51
DYRK1A Q13627 1/20 0.51
PDPK1 O15530 8/20 0.46
JAK2 O60674 2/20 0.46
AURKA O14965 2/20 0.43
TGFBR1 P36897 2/20 0.43
ROCK1 Q13464 2/20 0.43
AURKB Q96GD4 2/20 0.43
LRRK2 Q5S007 4/20 0.42
CHEK2 O96017 1/20 0.41
CHUK O15111 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40
KDR P35968 1/20 0.40
SYK P43405 1/20 0.40
JAK3 P52333 1/20 0.40
MAP3K5 Q99683 1/20 0.40
FLT3 P36888 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40

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
SCHEMBL11963297 0.86 CDC7 (0.50) PDPK1JAK2CDK2
SCHEMBL2479153 0.84 CDC7 (0.48) PDPK1JAK2CDK2
SCHEMBL11963370 0.83 TTK (0.52) PDPK1JAK2
SCHEMBL13737545 0.82 KIT (0.52) PDPK1FLT3
SCHEMBL31032738 0.80 PDPK1 (0.55) DYRK1APDPK1JAK2AURKATGFBR1
SCHEMBL627808 0.80 PDPK1 (0.55) DYRK1APDPK1JAK2AURKATGFBR1
SCHEMBL24358638 0.80 MAOA (0.47) MAOADYRK1ALRRK2KDRSYK
SCHEMBL31134073 0.80 MAOA (0.47) MAOADYRK1ALRRK2KDRSYK
SCHEMBL11963085 0.79 MAOA (0.51) MAOAPDPK1JAK2AURKATGFBR1
SCHEMBL216014 0.78 CNR2 (0.54) PDPK1JAK2AURKATGFBR1ROCK1

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
EP-2489663-A1 Compounds as syk kinase inhibitors Almirall, S.A. (ES) 2012-08-22 EP disclosed