SCHEMBL13480803

SCHEMBL13480803

CN1CCCC(COc2ccc(Nc3nc4ncc(C#N)c(Sc5cccc(Br)c5)c4s3)cc2)C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.35
SRC P12931 5/20 0.35
LCK P06239 2/20 0.35
ABL1 P00519 1/20 0.35
ABL2 P42684 1/20 0.35
ERBB2 P04626 1/20 0.35
KDM1A O60341 7/20 0.34
MYLK Q15746 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
FGFR1 P11362 2/20 0.33
FLT1 P17948 2/20 0.33
FLT4 P35916 2/20 0.33
KDR P35968 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
FGFR4 P22455 1/20 0.32

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
SCHEMBL13481384 0.92 SRC (0.37) EGFRSRCLCKABL1ABL2
SCHEMBL13480805 0.82 ABL1 (0.38) EGFRSRCABL1ABL2KDM1A
SCHEMBL13481385 0.82 KDM1A (0.35) EGFRSRCLCKABL1ABL2
SCHEMBL13481403 0.79 SRC (0.39) EGFRSRCLCKABL1ABL2
SCHEMBL13480800 0.77 SRC (0.36) EGFRSRCLCKABL1ABL2
SCHEMBL13481402 0.76 SRC (0.43) EGFRSRCLCKABL1ABL2
SCHEMBL13480798 0.76 SRC (0.52) SRCABL1ABL2KDR
SCHEMBL13480799 0.75 SRC (0.46) EGFRSRCABL1ABL2HRH3
SCHEMBL13481401 0.75 SRC (0.36) EGFRSRCLCKABL1ABL2
SCHEMBL13480808 0.72 SRC (0.41) EGFRSRCLCKABL1ABL2

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-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
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