SCHEMBL13604115

SCHEMBL13604115

CC(=O)Nc1cc(CCc2ncccc2-c2nnc(Nc3ccc(Cl)cc3)o2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.61
FLT1 P17948 14/20 0.61
PDCD1 Q15116 2/20 0.44
CD274 Q9NZQ7 2/20 0.44
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 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
SCHEMBL13604085 0.89 KDR (0.46) KDRFLT1PDCD1CD274
SCHEMBL13604116 0.85 KDR (0.57) KDRFLT1
SCHEMBL1346167 0.84 GSK3A (0.45) KDRFLT1PDCD1CD274TUBB4A
SCHEMBL13604082 0.82 KDR (0.79) KDRFLT1
SCHEMBL1346522 0.82 GSK3B (0.48) KDRFLT1PDCD1CD274
SCHEMBL13603978 0.80 KDR (0.56) KDRFLT1PDCD1CD274
SCHEMBL1346528 0.79 CA12 (0.39) KDRFLT1PDCD1CD274
SCHEMBL1346864 0.79 GSK3B (0.43) KDRFLT1PDCD1CD274
SCHEMBL1345063 0.76 GSK3A (0.52) KDRFLT1PDCD1CD274
SCHEMBL1345025 0.75 PDCD1 (0.45) KDRFLT1PDCD1CD274

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-2128156-A1 NOVEL OXADIAZOLE DERIVATIVES AND THIADIAZOLE DERIVATIVES HAVING NEOVASCULARIZATION INHIBITING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2009-12-02 EP disclosed