SCHEMBL13302020

SCHEMBL13302020

Cc1ccc(NC(=O)c2cccc(CF)c2)cc1Nc1nccn1-c1cc(NCc2nccs2)ncn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 19/20 0.45
▸ LYN P07948 19/20 0.45
▸ SRC P12931 19/20 0.45
▸ KDR P35968 19/20 0.45
▸ INSR P06213 17/20 0.45
▸ HCK P08631 15/20 0.45
▸ MAPK14 Q16539 1/20 0.40

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
SCHEMBL3232937 0.90 LCK (0.57) LCKLYNSRCKDRINSR
SCHEMBL13301928 0.88 LCK (0.47) LCKLYNSRCKDRINSR
SCHEMBL13302019 0.86 LCK (0.45) LCKLYNSRCKDRINSR
SCHEMBL13301997 0.86 LCK (0.46) LCKLYNSRCKDRINSR
SCHEMBL13301821 0.85 LCK (0.45) LCKLYNSRCKDRINSR
SCHEMBL13301782 0.84 LCK (0.47) LCKLYNSRCKDRINSR
SCHEMBL13301979 0.84 LCK (0.54) LCKLYNSRCKDRINSR
SCHEMBL13301994 0.84 HCK (0.44) LCKLYNSRCKDRINSR
SCHEMBL13301855 0.83 LCK (0.45) LCKLYNSRCKDRINSR
SCHEMBL13301827 0.82 LCK (0.45) LCKLYNSRCKDRINSR

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
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