SCHEMBL13301722

SCHEMBL13301722

Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(CF)c2)cc1Nc1nccn1-c1cc(N)ncn1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LYN P07948 6/20 0.54
SRC P12931 4/20 0.54
INSR P06213 3/20 0.54
LCK P06239 3/20 0.54
HCK P08631 3/20 0.54
KDR P35968 3/20 0.54
ABL1 P00519 7/20 0.50
BRAF P15056 6/20 0.49
EGFR P00533 5/20 0.49
BCR P11274 4/20 0.48
KIT P10721 2/20 0.47
CSF1R P07333 1/20 0.47

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
SCHEMBL13301945 0.94 HCK (0.61) LYNSRCINSRLCKHCK
SCHEMBL1841758 0.90 BRAF (0.61) LYNSRCABL1BRAFEGFR
SCHEMBL13301943 0.89 BRAF (0.51) LYNSRCINSRLCKHCK
SCHEMBL14097742 0.85 BRAF (0.49) LYNSRCABL1BRAFEGFR
SCHEMBL1824771 0.85 HCK (0.63) LYNSRCINSRLCKHCK
SCHEMBL13302014 0.84 HCK (0.53) LYNSRCINSRLCKHCK
SCHEMBL13301721 0.83 MAPK14 (0.50) LYNSRCINSRLCKHCK
SCHEMBL13301899 0.83 HCK (0.48) LYNSRCINSRLCKHCK
SCHEMBL13291960 0.83 BRAF (0.56) LYNSRCINSRLCKHCK
SCHEMBL13269709 0.83 CSF1R (0.55) LYNSRCINSRLCKHCK

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