SCHEMBL13301775

SCHEMBL13301775

CN(C)c1cc(C(=O)Nc2ccc(I)c(Nc3nccn3-c3cc(NC4CC4)ncn3)c2)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LYN P07948 16/20 0.47
▸ LCK P06239 15/20 0.47
▸ SRC P12931 15/20 0.47
▸ KDR P35968 15/20 0.47
▸ INSR P06213 13/20 0.47
▸ HCK P08631 13/20 0.47
▸ CSF1R P07333 4/20 0.40
▸ KIT P10721 1/20 0.40
▸ BRAF P15056 1/20 0.37

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
SCHEMBL13269782 0.92 LYN (0.56) LYNLCKSRCKDRINSR
SCHEMBL1825857 0.92 KDR (0.48) LYNLCKSRCKDRINSR
SCHEMBL3240423 0.92 LYN (0.47) LYNLCKSRCKDRINSR
SCHEMBL3238130 0.90 LYN (0.49) LYNLCKSRCKDRINSR
SCHEMBL13302010 0.86 CSF1R (0.51) LYNLCKSRCKDRINSR
SCHEMBL1824965 0.82 LYN (0.58) LYNLCKSRCKDRINSR
SCHEMBL1827464 0.81 LCK (0.69) LYNLCKSRCKDRINSR
SCHEMBL3232981 0.81 LYN (0.54) LYNLCKSRCKDRINSR
SCHEMBL13467360 0.80 LYN (0.54) LYNLCKSRCKDRINSR
SCHEMBL1828074 0.80 LYN (0.59) LYNLCKSRCKDRINSR

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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