SCHEMBL1018883

SCHEMBL1018883

O=CCN1CCN(c2ccc(Nc3nc(NC4CCS(O)(O)C4)c4cc[nH]c4n3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.55
BTK Q06187 10/20 0.55
EGFR P00533 1/20 0.47
PTK2 Q05397 3/20 0.44
PAK4 O96013 1/20 0.43
TTK P33981 1/20 0.43
PIK3CB P42338 1/20 0.43
MAPK8 P45983 1/20 0.43
MAP3K7 O43318 1/20 0.42
JAK2 O60674 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL1018882 0.90 JAK3 (0.53) JAK3BTKEGFRPTK2PAK4
SCHEMBL1072909 0.86 JAK3 (0.61) JAK3BTKEGFRPTK2TTK
SCHEMBL1017789 0.85 JAK3 (0.55) JAK3BTKEGFRPTK2PAK4
SCHEMBL12082809 0.78 JAK3 (0.61) JAK3BTKEGFRPTK2TTK
SCHEMBL1021471 0.77 PTK2 (0.47) JAK3BTKEGFRPTK2TTK
SCHEMBL12085415 0.77 JAK3 (0.58) JAK3BTKEGFRPTK2PAK4
SCHEMBL12082697 0.77 PTK2 (0.55) JAK3BTKEGFRPTK2PAK4
SCHEMBL1072907 0.76 JAK3 (0.60) JAK3BTKEGFRPTK2TTK
SCHEMBL1018943 0.76 TTK (0.47) JAK3BTKEGFRPAK4TTK
SCHEMBL1018622 0.75 TTK (0.52) JAK3BTKEGFRPTK2TTK

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 claimed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 WO claimed