SCHEMBL13301945

SCHEMBL13301945

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

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCK P08631 8/20 0.61
SRC P12931 5/20 0.61
INSR P06213 4/20 0.61
LCK P06239 4/20 0.61
LYN P07948 4/20 0.61
KDR P35968 4/20 0.61
NR2C2 P49116 4/20 0.52
HTT P42858 2/20 0.51
MAPK1 P28482 1/20 0.51
ATM Q13315 1/20 0.51
MAP3K7 O43318 1/20 0.45
FES P07332 1/20 0.45
FER P16591 1/20 0.45
GCK P35557 1/20 0.45
MAP4K2 Q12851 1/20 0.45
MAPK14 Q16539 1/20 0.45

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
SCHEMBL13301722 0.94 LYN (0.54) HCKSRCINSRLCKLYN
SCHEMBL1824771 0.90 HCK (0.63) HCKSRCINSRLCKLYN
SCHEMBL13302014 0.89 HCK (0.53) HCKSRCINSRLCKLYN
SCHEMBL13301899 0.89 HCK (0.48) HCKSRCINSRLCKLYN
SCHEMBL1841758 0.85 BRAF (0.61) SRCLYN
SCHEMBL13269773 0.84 LYN (0.62) HCKSRCINSRLCKLYN
SCHEMBL13301721 0.83 MAPK14 (0.50) HCKSRCINSRLCKLYN
SCHEMBL13301943 0.83 BRAF (0.51) HCKSRCINSRLCKLYN
SCHEMBL13291960 0.83 BRAF (0.56) HCKSRCINSRLCKLYN
SCHEMBL13269709 0.83 CSF1R (0.55) HCKSRCINSRLCKLYN

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