SCHEMBL13480800

SCHEMBL13480800

CN1CCCC(COc2ccc(Nc3nc4ncc(C#N)c(Oc5cccc(OC(F)(F)F)c5)c4s3)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.36
MAP4K1 Q92918 1/20 0.35
EGFR P00533 3/20 0.35
LCK P06239 2/20 0.35
GALR2 O43603 2/20 0.34
ABL1 P00519 1/20 0.34
ABL2 P42684 1/20 0.34
SCN9A Q15858 2/20 0.34
GALR1 P47211 1/20 0.34
S1PR1 P21453 1/20 0.34
PIM1 P11309 2/20 0.33
KCNH2 Q12809 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
KDM1A O60341 2/20 0.33
IGF1R P08069 1/20 0.33
ALK Q9UM73 1/20 0.33
GAK O14976 1/20 0.33
STK10 O94804 1/20 0.33
YES1 P07947 1/20 0.33
RET P07949 1/20 0.33

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
SCHEMBL13481403 0.89 SRC (0.39) SRCEGFRLCKABL1ABL2
SCHEMBL13480799 0.82 SRC (0.46) SRCEGFRABL1ABL2FGFR4
SCHEMBL13481401 0.81 SRC (0.36) SRCEGFRLCKABL1ABL2
SCHEMBL13481384 0.77 SRC (0.37) SRCEGFRLCKABL1ABL2
SCHEMBL13480803 0.77 EGFR (0.35) SRCEGFRLCKABL1ABL2
SCHEMBL13480798 0.75 SRC (0.52) SRCABL1ABL2
SCHEMBL13481402 0.75 SRC (0.43) SRCEGFRLCKABL1ABL2
SCHEMBL13481385 0.74 KDM1A (0.35) SRCEGFRLCKABL1ABL2
SCHEMBL13480805 0.74 ABL1 (0.38) SRCEGFRABL1ABL2KDM1A
SCHEMBL13480808 0.71 SRC (0.41) SRCEGFRLCKABL1ABL2

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-7659284-B2 Inhibitors of ATP-protein kinase; 7-(3-chloro-4-fluoro-phenylamino)-2-(4-pyrrolidin-1-ylmethyl-phenylamino)-thiazolo[4,5-b]pyridine-6-carbonitrile JANSSEN PHARMACEUTICA NV (BE) 2010-02-09 US disclosed