SCHEMBL7182522

SCHEMBL7182522

COc1ccc(Cl)c(Nc2ccnc3cc(-c4csc(CN5CCOCC5)c4)ccc23)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRC P12931 16/20 0.57
FLT3 P36888 1/20 0.49
FYN P06241 2/20 0.48
KDR P35968 1/20 0.46
EGFR P00533 1/20 0.44
MAP2K1 Q02750 1/20 0.44
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
RET P07949 1/20 0.43
ACP1 P24666 1/20 0.42

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
SCHEMBL3221720 0.84 SRC (0.81) SRCFYNEGFRMAP2K1ABL1
SCHEMBL7013494 0.81 RET (0.49) SRCFYNKDREGFRRET
SCHEMBL7104720 0.75 SRC (0.72) SRCFYNEGFRMAP2K1
SCHEMBL7097985 0.74 SRC (0.73) SRCFYNEGFRMAP2K1
SCHEMBL7148997 0.74 SRC (0.73) SRCFYNEGFRMAP2K1
SCHEMBL6738179 0.73 SRC (0.93) SRCFYNEGFRMAP2K1
SCHEMBL3227560 0.73 SRC (1.00) SRCFYNEGFRMAP2K1
SCHEMBL7095983 0.73 SRC (0.58) SRCFYNEGFRMAP2K1
SCHEMBL3222316 0.73 SRC (0.80) SRCFYNEGFRMAP2K1ABL1
SCHEMBL3221098 0.72 SRC (0.89) SRCFYNEGFRMAP2K1

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
EP-1268431-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2003-01-02 EP disclosed
WO-2001072711-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2001-10-04 WO disclosed