SCHEMBL1018558

SCHEMBL1018558

O=C(Nc1nc(Nc2ccc(N3CCNCC3)cc2)nc2[nH]ccc12)C1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 4/20 0.57
JAK3 P52333 5/20 0.53
BTK Q06187 3/20 0.53
PAK4 O96013 3/20 0.50
SYK P43405 2/20 0.48
EGFR P00533 1/20 0.47
ABL1 P00519 1/20 0.46
JAK2 O60674 2/20 0.46
MAP3K7 O43318 1/20 0.46
BRD4 O60885 1/20 0.46
AURKA O14965 1/20 0.46
RIPK1 Q13546 1/20 0.46

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
SCHEMBL1018554 0.78 PTK2 (0.50) PTK2JAK3BTKSYKEGFR
SCHEMBL1018484 0.78 PTK2 (0.59) PTK2JAK3BTKPAK4SYK
SCHEMBL12082697 0.77 PTK2 (0.55) PTK2JAK3BTKPAK4SYK
SCHEMBL1018231 0.76 PTK2 (0.58) PTK2JAK3BTKPAK4SYK
SCHEMBL1018234 0.76 PTK2 (0.58) PTK2JAK3BTKPAK4SYK
SCHEMBL1017177 0.76 PTK2 (0.58) PTK2JAK3BTKPAK4SYK
SCHEMBL1018487 0.75 PBK (0.52) PTK2JAK3BTKPAK4SYK
SCHEMBL1018336 0.74 ROCK2 (0.52) PAK4
SCHEMBL1074127 0.74 PTK2 (0.50) PTK2JAK3BTKPAK4EGFR
SCHEMBL1018567 0.74 PTK2 (0.50) PTK2JAK3BTKPAK4EGFR

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