SCHEMBL1017789

SCHEMBL1017789

NC1CCC(Nc2nc(Nc3ccc(N4CCN(CC=O)CC4)cc3)nc3[nH]ccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.55
BTK Q06187 6/20 0.55
PAK4 O96013 2/20 0.54
IRAK4 Q9NWZ3 1/20 0.47
SYK P43405 4/20 0.47
EGFR P00533 1/20 0.46
FLT3 P36888 1/20 0.45
PTK2 Q05397 2/20 0.45
TTK P33981 2/20 0.45
PIK3CB P42338 1/20 0.45
MAPK8 P45983 1/20 0.45
ADORA3 P0DMS8 1/20 0.43

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
SCHEMBL1018883 0.85 JAK3 (0.55) JAK3BTKPAK4EGFRPTK2
SCHEMBL1018882 0.84 JAK3 (0.53) JAK3BTKPAK4IRAK4EGFR
SCHEMBL4380199 0.84 SYK (0.66) JAK3BTKPAK4IRAK4SYK
SCHEMBL27912565 0.84 SYK (0.61) JAK3BTKPAK4IRAK4SYK
SCHEMBL12085415 0.84 JAK3 (0.58) JAK3BTKPAK4IRAK4SYK
SCHEMBL1015141 0.80 PAK4 (0.59) JAK3BTKPAK4EGFRTTK
SCHEMBL12085313 0.79 JAK3 (0.70) JAK3BTKPAK4IRAK4SYK
SCHEMBL12085413 0.79 JAK3 (0.66) JAK3BTKPAK4IRAK4SYK
SCHEMBL1016206 0.78 TTK (0.49) JAK3BTKSYKEGFRPTK2
SCHEMBL1021471 0.78 PTK2 (0.47) JAK3BTKSYKEGFRPTK2

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-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed