SCHEMBL14547845

SCHEMBL14547845

CN(C)c1nc(Nc2ccc(C(N)=O)cc2)nc2[nH]ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 6/20 0.58
▸ JAK3 P52333 8/20 0.48
▸ PTK2 Q05397 7/20 0.48
▸ AURKA O14965 3/20 0.48
▸ DAPK3 O43293 3/20 0.48
▸ JAK2 O60674 3/20 0.48
▸ PAK4 O96013 3/20 0.48
▸ RET P07949 3/20 0.48
▸ LTK P29376 3/20 0.48
▸ KDR P35968 3/20 0.48
▸ MAP2K2 P36507 3/20 0.48
▸ MAPK8 P45983 3/20 0.48
▸ MAPK9 P45984 3/20 0.48
▸ CLK2 P49760 3/20 0.48
▸ RPS6KA3 P51812 3/20 0.48
▸ CDK5 Q00535 3/20 0.48
▸ MAP2K1 Q02750 3/20 0.48
▸ MST1R Q04912 3/20 0.48
▸ MAP4K2 Q12851 3/20 0.48
▸ ROCK1 Q13464 3/20 0.48

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
SCHEMBL14287375 0.82 LRRK2 (0.63) LRRK2JAK3PTK2AURKADAPK3
SCHEMBL14287378 0.81 LRRK2 (0.69) LRRK2JAK3PTK2AURKADAPK3
SCHEMBL14287388 0.79 LRRK2 (0.68) LRRK2JAK3PTK2AURKADAPK3
SCHEMBL5119258 0.79 LRRK2 (0.65) LRRK2JAK3PTK2AURKADAPK3
SCHEMBL14287381 0.76 LRRK2 (0.80) LRRK2JAK3PTK2AURKADAPK3
SCHEMBL14287387 0.76 LRRK2 (0.64) LRRK2JAK3PTK2AURKADAPK3
SCHEMBL14287379 0.76 LRRK2 (0.70) LRRK2JAK3PTK2AURKADAPK3
SCHEMBL12085318 0.75 LRRK2 (0.64) LRRK2JAK3PAK4BTKSYK
SCHEMBL14287380 0.75 LRRK2 (0.63) LRRK2JAK3PTK2AURKADAPK3
SCHEMBL14287389 0.74 LRRK2 (0.75) LRRK2JAK3PTK2AURKADAPK3

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-2007042299-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 — — WO disclosed
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