SCHEMBL9605968

SCHEMBL9605968

COC(=O)c1cccc2c1CCN(Cc1ccnc3cc(OC)ccc13)C2

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.63
KDM4E B2RXH2 1/20 0.43
P2RY1 P47900 1/20 0.41
AURKA O14965 3/20 0.40
MET P08581 3/20 0.40
TEK Q02763 3/20 0.40
AURKB Q96GD4 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
SCHEMBL4439330 0.89 KDR (0.79) KDR
SCHEMBL4445915 0.88 KDR (0.68) KDRKDM4E
SCHEMBL14147261 0.82 KDR (0.59) KDRAURKAMETTEKAURKB
SCHEMBL9605539 0.81 KDR (0.74) KDR
SCHEMBL4436645 0.81 KDR (0.77) KDR
SCHEMBL9605542 0.80 KDR (0.72) KDRKDM4E
SCHEMBL9605549 0.78 KDR (1.00) KDRAURKAMETTEKAURKB
SCHEMBL9605536 0.78 KDR (1.00) KDRAURKAMETTEKAURKB
SCHEMBL14122430 0.78 KDR (0.87) KDR
SCHEMBL9605553 0.76 KDR (1.00) KDR

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-2118088-B1 Heterocyclic compounds and their use in treating inflammation, angiogenesis and cancer AMGEN INC (US) 2012-05-30 EP disclosed