SCHEMBL13301967

SCHEMBL13301967

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(C)c(Nc4nccn4-c4cc(NC5CC5)ncn4)c3)cc2CF)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCK P08631 9/20 0.46
BTK Q06187 1/20 0.46
KDR P35968 5/20 0.43
INSR P06213 4/20 0.43
LCK P06239 4/20 0.43
LYN P07948 4/20 0.43
SRC P12931 4/20 0.43
NR2C2 P49116 5/20 0.41
CDK8 P49336 3/20 0.41
RET P07949 3/20 0.41
MAP3K7 O43318 2/20 0.41
FES P07332 2/20 0.41
FER P16591 2/20 0.41
MAP4K2 Q12851 2/20 0.41
MAPK14 Q16539 2/20 0.41
EGFR P00533 2/20 0.41
BRAF P15056 2/20 0.41
STK25 O00506 1/20 0.41
CIT O14578 1/20 0.41
MAP2K7 O14733 1/20 0.41

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
SCHEMBL13301899 0.93 HCK (0.48) HCKBTKKDRINSRLCK
SCHEMBL1825454 0.91 HCK (0.52) HCKKDRINSRLCKLYN
SCHEMBL13301943 0.87 BRAF (0.51) HCKKDRINSRLCKLYN
SCHEMBL13269711 0.87 HCK (0.58) HCKBTKKDRINSRLCK
SCHEMBL1826484 0.85 NR2C2 (0.58) HCKNR2C2MAP3K7FESFER
SCHEMBL3234828 0.84 NR2C2 (0.59) HCKNR2C2MAP3K7FESFER
SCHEMBL13301710 0.82 HCK (0.51) HCKBTKKDRINSRLCK
SCHEMBL13302014 0.82 HCK (0.53) HCKBTKKDRINSRLCK
SCHEMBL17470236 0.81 HCK (0.48) HCKBTKKDRINSRLCK
SCHEMBL13291968 0.81 CSF1R (0.57) HCKBTKKDRINSRLCK

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
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 US disclosed