SCHEMBL13955639

SCHEMBL13955639

CC(C)Oc1ccc(Nc2ncc(Cc3ccncc3)c3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ NAMPT P43490 1/20 0.44
▸ TTBK1 Q5TCY1 1/20 0.44
▸ TTBK2 Q6IQ55 1/20 0.44
▸ KDR P35968 9/20 0.44
▸ FLT1 P17948 8/20 0.44
▸ PDGFRB P09619 7/20 0.44
▸ KIT P10721 6/20 0.43
▸ CIT O14578 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ HLA-A P04439 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ RET P07949 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ FLT4 P35916 1/20 0.43

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
SCHEMBL13955585 0.87 KDR (0.55) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL13955571 0.85 KDR (0.48) SMN1; SMN2MAPTNPC1RAB9AKDR
SCHEMBL13955411 0.82 KDR (0.48) MAPTRAB9AKDRFLT1PDGFRB
SCHEMBL13955487 0.82 RAB9A (0.46) SMN1; SMN2NPC1RAB9AKMT2AKDR
SCHEMBL2201541 0.81 FLT1 (0.64) KDRFLT1PDGFRBKITCIT
SCHEMBL13955486 0.81 FLT1 (0.64) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL13955592 0.81 CYP1A2 (0.46) SMN1; SMN2MAPTKMT2ANAMPTKDR
SCHEMBL3668971 0.81 KDR (0.66) SMN1; SMN2KDRFLT1PDGFRBKIT
SCHEMBL7205123 0.81 FLT1 (0.44) SMN1; SMN2NAMPTKDRFLT1PDGFRB
SCHEMBL13955485 0.79 FLT1 (0.52) RAB9AKMT2ANAMPTKDRFLT1

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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