SCHEMBL13301855

SCHEMBL13301855

Cc1ccc(NC(=O)c2cccc(CF)c2)cc1Nc1nccn1-c1cc(Nc2cnccn2)ncn1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LCK P06239 17/20 0.45
LYN P07948 17/20 0.45
SRC P12931 17/20 0.45
KDR P35968 17/20 0.45
HCK P08631 15/20 0.45
INSR P06213 15/20 0.45
BRAF P15056 1/20 0.43
BTK Q06187 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
SCHEMBL13301782 0.91 LCK (0.47) LCKLYNSRCKDRHCK
SCHEMBL13301928 0.90 LCK (0.47) LCKLYNSRCKDRHCK
SCHEMBL1824860 0.88 BRAF (0.58) LCKLYNSRCKDRHCK
SCHEMBL13301994 0.88 HCK (0.44) LCKLYNSRCKDRHCK
SCHEMBL13301821 0.87 LCK (0.45) LCKLYNSRCKDRHCK
SCHEMBL13301827 0.86 LCK (0.45) LCKLYNSRCKDRHCK
SCHEMBL13301979 0.86 LCK (0.54) LCKLYNSRCKDRHCK
SCHEMBL13301997 0.85 LCK (0.46) LCKLYNSRCKDRHCK
SCHEMBL13301730 0.84 MAPK14 (0.52) HCKBRAFBTK
SCHEMBL13302020 0.83 LCK (0.45) LCKLYNSRCKDRHCK

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