SCHEMBL13292010

SCHEMBL13292010

Cc1ccc(NC(=O)c2cc(OC[C@@H]3CCCN3)cc(C(F)(F)F)c2)cc1Nc1nccn1-c1cc(NC2CC2)ncn1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LYN P07948 18/20 0.52
LCK P06239 17/20 0.52
SRC P12931 17/20 0.52
KDR P35968 17/20 0.52
INSR P06213 15/20 0.52
HCK P08631 15/20 0.52
CSF1R P07333 3/20 0.41
KIT P10721 1/20 0.41

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
SCHEMBL1824318 1.00 LYN (0.52) LYNLCKSRCKDRINSR
SCHEMBL1825733 0.86 LYN (0.53) LYNLCKSRCKDRINSR
SCHEMBL3232981 0.85 LYN (0.54) LYNLCKSRCKDRINSR
SCHEMBL1824965 0.84 LYN (0.58) LYNLCKSRCKDRINSR
SCHEMBL13269782 0.84 LYN (0.56) LYNLCKSRCKDRINSR
SCHEMBL13269699 0.84 LCK (0.62) LYNLCKSRCKDRINSR
SCHEMBL1821746 0.83 LYN (0.54) LYNLCKSRCKDRINSR
SCHEMBL1827464 0.83 LCK (0.69) LYNLCKSRCKDRINSR
SCHEMBL13467360 0.83 LYN (0.54) LYNLCKSRCKDRINSR
SCHEMBL1822577 0.83 LYN (0.51) 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 2 patents. 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
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 US disclosed