SCHEMBL13480798

SCHEMBL13480798

COc1ccc(Cl)c(Nc2c(C#N)cnc3nc(Nc4ccc(OCC5CCCN(C)C5)cc4)sc23)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRC P12931 19/20 0.52
ABL1 P00519 9/20 0.52
ABL2 P42684 7/20 0.52
BCR P11274 2/20 0.44
JAK1 P23458 1/20 0.39
KDR P35968 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
SCHEMBL13481402 0.91 SRC (0.43) SRCABL1ABL2JAK1
SCHEMBL13480808 0.85 SRC (0.41) SRCABL1ABL2BCRKDR
SCHEMBL13480799 0.81 SRC (0.46) SRCABL1ABL2KDR
SCHEMBL13480805 0.79 ABL1 (0.38) SRCABL1ABL2
SCHEMBL13481403 0.78 SRC (0.39) SRCABL1ABL2JAK1
SCHEMBL13481401 0.76 SRC (0.36) SRCABL1ABL2
SCHEMBL13480803 0.76 EGFR (0.35) SRCABL1ABL2KDR
SCHEMBL13481384 0.76 SRC (0.37) SRCABL1ABL2JAK1
SCHEMBL13480800 0.75 SRC (0.36) SRCABL1ABL2
SCHEMBL13481385 0.75 KDM1A (0.35) SRCABL1ABL2

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