SCHEMBL9103231

SCHEMBL9103231

CNCCOc1ccc(C)cc1NC(=O)c1cc(-c2cccc(Oc3ccnc(OC(=O)NC)c3)c2)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.42
FLT1 P17948 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAF1 P04049 1/20 0.35

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
SCHEMBL5725077 0.93 KDR (0.41) KDRFLT1MEN1KMT2ARAF1
SCHEMBL9098841 0.91 KDR (0.41) KDRFLT1
SCHEMBL4470743 0.89 KDR (0.45) KDRFLT1RAF1
SCHEMBL5724634 0.84 KDR (0.40) KDRFLT1MEN1KMT2A
SCHEMBL9100306 0.83 KDR (0.41) KDRFLT1
SCHEMBL9102033 0.82 LCLAT1 (0.42) KDRMEN1KMT2A
SCHEMBL9104786 0.81 RAF1 (0.49) KDRRAF1
SCHEMBL9103055 0.81 LMNA (0.44) KDRMEN1KMT2ARAF1
SCHEMBL9102036 0.80 MAPT (0.41) KDRMEN1KMT2A
SCHEMBL4473222 0.80 KDR (0.44) KDRFLT1RAF1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685125-B1 Pyrrole derivatives useful for the treatment of proliferative diseases MERCK PATENT GMBH (DE) 2012-06-06 EP claimed
EP-1685125-B1 Pyrrole derivatives useful for the treatment of proliferative diseases MERCK PATENT GMBH (DE) 2012-06-06 EP disclosed