SCHEMBL4553387

SCHEMBL4553387

Cc1cccc(-c2cc(-c3cccc(N)c3N)c(-c3cccc(C)c3)c(-c3cccc(C)c3)c2-c2cccc(C)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.41
MAP4K4 O95819 2/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
MET P08581 1/20 0.41
PDGFRB P09619 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
PRKACA P17612 1/20 0.41
LTK P29376 1/20 0.41
GRK5 P34947 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
MAPK8 P45983 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CDK8 P49336 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
SCHEMBL29414648 0.85 MAP4K4 (0.49) CHEK1MAP4K4ABL1NTRK1LCK
SCHEMBL28465298 0.85 MAP4K4 (0.49) CHEK1MAP4K4ABL1NTRK1LCK
SCHEMBL1263501 0.83 ADORA2A (0.39) CHEK1KDRFLT3RAB9AADORA1
SCHEMBL7164278 0.82 ALDH1A1 (0.42) CHEK1MAP4K4ABL1NTRK1LCK
SCHEMBL1838861 0.80 ALDH1A1 (0.50) MAP4K4CSF1RPIM1FGFR1PDGFRA
SCHEMBL11629135 0.80 RAB9A (0.50) CHEK1MAP4K4ABL1NTRK1LCK
Ammonia Solution, Strong SCHEMBL29089079 0.78 RAB9A (0.49) CHEK1MAP4K4ABL1NTRK1LCK
SCHEMBL4553382 0.76 RAB9A (0.50) CHEK1MAP4K4ABL1NTRK1LCK
SCHEMBL8397637 0.76 CD44 (0.42) CHEK1CDK8ACVR1RAB9AADORA1
SCHEMBL397078 0.76 ALDH1A1 (0.58) CHEK1MAP4K4ABL1NTRK1LCK

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-7622231-B2 Imaging members containing intermixed polymer charge transport component layer XEROX CORPORATION (US) 2009-11-24 US disclosed
US-20080057426-A1 Photoconductors XEROX CORPORATION 2008-03-06 US disclosed