SCHEMBL13480799

SCHEMBL13480799

CN1CCCC(COc2ccc(Nc3nc4ncc(C#N)c(Oc5ccc(Cl)cc5Cl)c4s3)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 9/20 0.46
ABL1 P00519 5/20 0.42
ABL2 P42684 5/20 0.42
HRH3 Q9Y5N1 1/20 0.37
ACACB O00763 2/20 0.36
ZAP70 P43403 1/20 0.36
EGFR P00533 3/20 0.35
FGFR1 P11362 1/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
MAP2K1 Q02750 1/20 0.34
FGFR4 P22455 1/20 0.34
AGER Q15109 2/20 0.34

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
SCHEMBL13481401 0.86 SRC (0.36) SRCABL1ABL2EGFRFGFR4
SCHEMBL13481403 0.83 SRC (0.39) SRCABL1ABL2HRH3ZAP70
SCHEMBL13480800 0.82 SRC (0.36) SRCABL1ABL2EGFRFGFR4
SCHEMBL13480798 0.81 SRC (0.52) SRCABL1ABL2KDR
SCHEMBL13480805 0.78 ABL1 (0.38) SRCABL1ABL2HRH3ZAP70
SCHEMBL13480808 0.76 SRC (0.41) SRCABL1ABL2EGFRKDR
SCHEMBL13481402 0.76 SRC (0.43) SRCABL1ABL2EGFRMAP2K1
SCHEMBL13480803 0.75 EGFR (0.35) SRCABL1ABL2HRH3EGFR
SCHEMBL13481384 0.75 SRC (0.37) SRCABL1ABL2EGFRFGFR4
SCHEMBL13481385 0.74 KDM1A (0.35) SRCABL1ABL2EGFRFGFR4

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