SCHEMBL1021379

SCHEMBL1021379

NCC1CCN(c2nc(Nc3ccc(N4CCN(CC=O)CC4)cc3)ncc2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.51
JAK2 O60674 3/20 0.46
FLT3 P36888 2/20 0.46
EGFR P00533 2/20 0.44
ALK Q9UM73 5/20 0.44
CDK9 P50750 2/20 0.44
CCNK O75909 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCND3 P30281 1/20 0.44
CDK6 Q00534 1/20 0.44
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
LRRK2 Q5S007 3/20 0.42
WEE1 P30291 3/20 0.42
TNK2 Q07912 6/20 0.42
LCK P06239 2/20 0.42
FGFR1 P11362 2/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 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
SCHEMBL1018052 0.89 SYK (0.51) SYKFLT3LRRK2BTK
SCHEMBL1019473 0.84 ALK (0.66) SYKJAK2FLT3ALK
SCHEMBL1018497 0.81 SYK (0.45) SYKJAK2CDK9LRRK2
SCHEMBL1016206 0.80 TTK (0.49) SYKEGFRJAK3PTK2BTK
SCHEMBL1018466 0.80 PTK2 (0.46) SYKFLT3LRRK2PTK2BTK
SCHEMBL1015978 0.76 SYK (0.41) SYKFLT3CDK9CCNA2CDK2
SCHEMBL1018605 0.74 FGFR4 (0.42) SYKFLT3
SCHEMBL1017856 0.74 STK17A (0.48) SYKFLT3CCNA2CDK2CCND3
SCHEMBL1017426 0.73 SYK (0.58) SYKALK
SCHEMBL1018450 0.72 SYK (0.69) SYK

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