SCHEMBL10262752

SCHEMBL10262752

O=C(Nc1ccc(I)c(CF)c1)c1ccc2ccc(Oc3ccnc(C4=NCCN4)c3)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
POLB P06746 4/20 0.39
UBE2N P61088 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
FDPS P14324 1/20 0.38
BRAF P15056 2/20 0.38
KIT P10721 1/20 0.38
MEN1 O00255 3/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 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
SCHEMBL10199733 0.87 KDR (0.42) KMT2APOLBUBE2NKDM4ETDP1
SCHEMBL10263298 0.86 FDPS (0.46) KMT2APOLBUBE2NKDM4ETDP1
SCHEMBL10268162 0.82 KDR (0.43) KDRFLT1
SCHEMBL5416351 0.82 RAF1 (0.45) BRAFKDRFLT1
SCHEMBL545439 0.81 MAPK14 (0.44) BRAFKDRFLT1
SCHEMBL545637 0.81 KDR (0.52) KMT2ABRAFKITMEN1HDAC3
SCHEMBL10199956 0.81 RAF1 (0.49) KMT2ABRAFMEN1MAPTKDR
SCHEMBL545887 0.80 KDR (0.51) KMT2AFDPSBRAFKITMEN1
SCHEMBL545010 0.79 KDR (0.50) KMT2APOLBKDM4ETDP1BRAF
SCHEMBL546229 0.79 MAPK14 (0.50) BRAF

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
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed