SCHEMBL13955412

SCHEMBL13955412

CC(C)c1cccc(Nc2ncc(Cc3ccncc3)c3ccccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 12/20 0.48
▸ PDGFRB P09619 11/20 0.48
▸ FLT1 P17948 11/20 0.48
▸ KIT P10721 10/20 0.48
▸ IDO1 P14902 1/20 0.43
▸ EGFR P00533 2/20 0.38
▸ RET P07949 2/20 0.38
▸ CIT O14578 1/20 0.38
▸ HLA-A P04439 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ FRK P42685 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ DDR1 Q08345 1/20 0.38
▸ STK3 Q13188 1/20 0.38
▸ PTK6 Q13882 1/20 0.38
▸ MAP3K19 Q56UN5 1/20 0.38
▸ CDK19 Q9BWU1 1/20 0.38

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
SCHEMBL13955571 0.87 KDR (0.48) KDRPDGFRBFLT1KITEGFR
SCHEMBL13955484 0.84 KDR (0.50) KDRPDGFRBFLT1KITIDO1
SCHEMBL7205123 0.83 FLT1 (0.44) KDRPDGFRBFLT1KITEGFR
SCHEMBL13955587 0.81 FLT1 (0.46) KDRPDGFRBFLT1KITEGFR
SCHEMBL3152355 0.81 FLT1 (0.64) KDRPDGFRBFLT1KITEGFR
SCHEMBL13955450 0.81 FLT1 (0.48) KDRPDGFRBFLT1KITEGFR
SCHEMBL13955487 0.80 RAB9A (0.46) KDRPDGFRBFLT1KITEGFR
SCHEMBL13955594 0.79 KDR (0.51) KDRPDGFRBFLT1KITEGFR
SCHEMBL13955448 0.79 FLT1 (0.47) KDRPDGFRBFLT1KITEGFR
SCHEMBL13955411 0.78 KDR (0.48) KDRPDGFRBFLT1KITEGFR

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-1603566-B1 USE OF ISOQUINOLINE DERIVATIVES FOR TREATING CANCER AND MAP KINASE RELATED DISEASES NOVARTIS AG (CH) 2009-01-21 — — EP disclosed
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