SCHEMBL4788673

SCHEMBL4788673

CCN1CCN(c2cc(Nc3ccc(C)c(NC(=O)c4cnc5[nH]ccc5c4NC)c3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 2/20 0.45
MAP4K2 Q12851 2/20 0.45
BRAF P15056 11/20 0.45
CSF1R P07333 3/20 0.45
LYN P07948 2/20 0.45
RAF1 P04049 2/20 0.45
DDR1 Q08345 1/20 0.44
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
INSR P06213 1/20 0.43
LCK P06239 1/20 0.43
HCK P08631 1/20 0.43
SRC P12931 1/20 0.43
KDR P35968 1/20 0.43
EPHA2 P29317 1/20 0.41
CSK P41240 1/20 0.41
MAPK14 Q16539 1/20 0.41
MAP3K20 Q9NYL2 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
SCHEMBL4788677 0.91 CSF1R (0.56) MAP3K7MAP4K2BRAFCSF1RLYN
SCHEMBL4788870 0.84 KMT2A (0.60) MAP3K7MAP4K2BRAFLYNRAF1
SCHEMBL4788930 0.84 MAPK14 (0.53) MAP3K7MAP4K2CSF1RRAF1KMT2A
SCHEMBL4789207 0.84 ABL1 (0.55) BRAFCSF1RLYNRAF1INSR
SCHEMBL4789920 0.84 KDR (0.44) BRAFCSF1RRAF1DDR1LCK
SCHEMBL14026838 0.83 BRAF (0.66) MAP3K7MAP4K2BRAFCSF1RLYN
SCHEMBL4788889 0.82 BMX (0.53) BRAFCSF1RRAF1DDR1ATM
SCHEMBL4788872 0.79 DDR1 (0.70) MAP3K7MAP4K2BRAFLYNRAF1
SCHEMBL4789367 0.78 ABL1 (0.56) MAP3K7MAP4K2BRAFCSF1RLYN
SCHEMBL4788852 0.77 BRAF (0.43) BRAFRAF1DDR1LCKSRC

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
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 WO disclosed