SCHEMBL5256325

SCHEMBL5256325

COc1ccc2c(ccc3c(Cl)c(C#N)cnc32)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.45
HPGDS O60760 1/20 0.44
NQO1 P15559 1/20 0.43
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
KDM4E B2RXH2 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
MAP2K1 Q02750 3/20 0.41
RAF1 P04049 2/20 0.41
MAPT P10636 2/20 0.40
GLA P06280 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CLK1 P49759 3/20 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
SCHEMBL5254882 0.82 SRC (0.50) SRCHPGDSNQO1ABL1BCR
SCHEMBL5255093 0.82 SRC (0.50) SRCHPGDSNQO1ABL1BCR
SCHEMBL6382801 0.81 SRC (0.60) SRCHPGDSABL1BCRKDM4E
SCHEMBL5253283 0.78 SRC (0.74) SRCABL1BCR
SCHEMBL3272746 0.78 SRC (0.60) SRCHPGDSNQO1ABL1BCR
SCHEMBL5257280 0.77 KMT2A (0.47) KDM4EL3MBTL1NPSR1NCOA3MAPT
SCHEMBL19889935 0.77 SRC (0.41) SRCABL1BCRMAP2K1
SCHEMBL5256089 0.75 SRC (0.39) SRCABL1BCR
SCHEMBL5256736 0.75 IMPDH2 (0.48) SRCHPGDSKDM4E
SCHEMBL19877059 0.73 SRC (0.41) SRC

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
EP-1242382-B1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH CORP (US) 2007-02-07 EP claimed