SCHEMBL13955414

SCHEMBL13955414

FC(F)(F)c1ccc(Nc2ncc(CCc3cccnc3)c3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.46
▸ EPHX2 P34913 7/20 0.45
▸ NAMPT P43490 1/20 0.44
▸ FLT1 P17948 3/20 0.43
▸ ABCG2 Q9UNQ0 2/20 0.42
▸ KDR P35968 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ABL1 P00519 2/20 0.41
▸ BCR P11274 2/20 0.41
▸ VNN1 O95497 1/20 0.40

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
SCHEMBL1386811 0.90 KDR (0.44) NAMPTFLT1ABCG2KDRMEN1
SCHEMBL1386339 0.89 KDR (0.48) PLK1NAMPTFLT1ABCG2KDR
SCHEMBL1383042 0.88 KIF11 (0.53) NAMPTFLT1ABCG2KDRMEN1
SCHEMBL1382926 0.87 FLT1 (0.46) FLT1ABCG2KDRMEN1KMT2A
SCHEMBL13955447 0.86 ABL1 (0.56) EPHX2FLT1KDRRAB9AABL1
SCHEMBL1383504 0.86 KDR (0.44) NAMPTFLT1KDRMEN1KMT2A
SCHEMBL1383724 0.86 KDR (0.53) NAMPTFLT1ABCG2KDRMEN1
SCHEMBL1385235 0.86 NAMPT (0.46) NAMPTFLT1KDRMEN1KMT2A
SCHEMBL1382851 0.85 FLT1 (0.60) NAMPTFLT1KDRMEN1KMT2A
SCHEMBL1387032 0.84 KDR (0.54) NAMPTFLT1KDR

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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