SCHEMBL14547966

SCHEMBL14547966

COc1cncc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.57
▸ BTK Q06187 2/20 0.54
▸ AURKA O14965 2/20 0.54
▸ DAPK3 O43293 2/20 0.54
▸ JAK2 O60674 2/20 0.54
▸ PAK4 O96013 2/20 0.54
▸ CSF1R P07333 2/20 0.54
▸ RET P07949 2/20 0.54
▸ LTK P29376 2/20 0.54
▸ KDR P35968 2/20 0.54
▸ MAP2K2 P36507 2/20 0.54
▸ SYK P43405 2/20 0.54
▸ MAPK8 P45983 2/20 0.54
▸ MAPK9 P45984 2/20 0.54
▸ CLK2 P49760 2/20 0.54
▸ RPS6KA3 P51812 2/20 0.54
▸ JAK3 P52333 2/20 0.54
▸ CDK5 Q00535 2/20 0.54
▸ MAP2K1 Q02750 2/20 0.54
▸ MST1R Q04912 2/20 0.54

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
SCHEMBL14547965 0.87 LRRK2 (0.67) LRRK2BTKAURKADAPK3JAK2
SCHEMBL14547956 0.82 LRRK2 (0.63) LRRK2BTKAURKADAPK3JAK2
SCHEMBL14547850 0.81 LRRK2 (0.62) LRRK2BTKAURKADAPK3JAK2
SCHEMBL14547931 0.80 LRRK2 (0.58) LRRK2BTKAURKADAPK3JAK2
SCHEMBL14547949 0.80 LRRK2 (0.60) LRRK2BTKAURKADAPK3JAK2
SCHEMBL14547958 0.80 LRRK2 (0.72) LRRK2BTKAURKADAPK3JAK2
SCHEMBL14547849 0.80 LRRK2 (0.69) LRRK2BTKAURKADAPK3JAK2
SCHEMBL14547771 0.80 LRRK2 (0.57) LRRK2BTKAURKADAPK3JAK2
SCHEMBL14547738 0.79 LRRK2 (0.59) LRRK2BTKAURKADAPK3JAK2
SCHEMBL14547919 0.79 LRRK2 (0.70) LRRK2BTKAURKADAPK3JAK2

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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