SCHEMBL13302014

SCHEMBL13302014

CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccn4-c4cc(Nc5ccccn5)ncn4)c3)cc2CF)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCK P08631 6/20 0.53
INSR P06213 1/20 0.53
LCK P06239 1/20 0.53
LYN P07948 1/20 0.53
SRC P12931 1/20 0.53
KDR P35968 1/20 0.53
NR2C2 P49116 4/20 0.47
BTK Q06187 1/20 0.46
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
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
EGFR P00533 1/20 0.44
BRAF P15056 1/20 0.44
ABL1 P00519 1/20 0.44

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
SCHEMBL1823606 0.91 HCK (0.57) HCKNR2C2MAP3K7FESFER
SCHEMBL13301945 0.89 HCK (0.61) HCKINSRLCKLYNSRC
SCHEMBL13301899 0.89 HCK (0.48) HCKINSRLCKLYNSRC
SCHEMBL13301986 0.87 POLB (0.45) HCKINSRLCKLYNSRC
SCHEMBL13301924 0.85 LCK (0.52) HCKINSRLCKLYNSRC
SCHEMBL13301722 0.84 LYN (0.54) HCKINSRLCKLYNSRC
SCHEMBL13301943 0.84 BRAF (0.51) HCKINSRLCKLYNSRC
SCHEMBL13291949 0.83 NR2C2 (0.64) HCKNR2C2MAP3K7FESFER
SCHEMBL1826415 0.82 LYN (0.65) HCKINSRLCKLYNSRC
SCHEMBL13301967 0.82 HCK (0.46) HCKINSRLCKLYNSRC

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