SCHEMBL4789920

SCHEMBL4789920

CNc1c(C(=O)Nc2cc(Nc3cc(F)cc(C(F)(F)F)c3)ccc2C)cnc2[nH]ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.44
BMX P51813 3/20 0.43
ABL1 P00519 3/20 0.43
MAPK14 Q16539 2/20 0.43
SRC P12931 1/20 0.43
DDR1 Q08345 1/20 0.43
DDR2 Q16832 1/20 0.43
CSF1R P07333 1/20 0.40
KIT P10721 1/20 0.40
RAF1 P04049 2/20 0.40
LCK P06239 3/20 0.40
PIKFYVE Q9Y2I7 1/20 0.40
XPO1 O14980 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39

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
SCHEMBL4788889 0.90 BMX (0.53) KDRBMXABL1MAPK14SRC
SCHEMBL4789921 0.89 KDR (0.48) KDRBMXABL1MAPK14SRC
SCHEMBL4788852 0.86 BRAF (0.43) KDRBMXABL1MAPK14SRC
SCHEMBL4788930 0.86 MAPK14 (0.53) ABL1MAPK14CSF1RRAF1BTK
SCHEMBL4788092 0.84 BRAF (0.53) KDRMAPK14RAF1LCKBTK
SCHEMBL4788673 0.84 MAP3K7 (0.45) KDRMAPK14SRCDDR1CSF1R
SCHEMBL4788891 0.82 CSF1R (0.61) KDRBMXABL1MAPK14SRC
SCHEMBL4788641 0.82 LCK (0.49) KDRBMXABL1MAPK14SRC
SCHEMBL4789713 0.82 BMX (0.41) BMXABL1MAPK14SRCDDR1
SCHEMBL4790218 0.81 BMX (0.49) KDRBMXABL1MAPK14SRC

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