SCHEMBL3935784

SCHEMBL3935784

CC(C)(C)OC(=O)On1nc(N)c2cc(NC(=O)NCc3cc(F)ccc3F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
NAMPT P43490 6/20 0.39
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
MAPKAPK2 P49137 3/20 0.37
MET P08581 1/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
ANO1 Q5XXA6 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
IDH1 O75874 1/20 0.35
GUCY1A1 Q02108 1/20 0.35
GUCY1B1 Q02153 1/20 0.35
KCNH2 Q12809 1/20 0.35
CFD P00746 1/20 0.34

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
SCHEMBL4119234 0.87 KMT2A (0.41) KMT2ANAMPTPKMMAPK1RAB9A
SCHEMBL3927570 0.82 RAB9A (0.38) KMT2ANAMPTPKMMAPK1RAB9A
SCHEMBL3933572 0.80 ROCK2 (0.49) KMT2ANAMPTRAB9A
SCHEMBL3933114 0.72 NR1H2 (0.36) AURKA
SCHEMBL4041104 0.72 ANO1 (0.44) ANO1
SCHEMBL4134609 0.72 RAB9A (0.39) KMT2ANAMPTPKMMAPK1RAB9A
SCHEMBL16564357 0.72 JAK2 (0.49) NAMPTMAPK1AURKAAURKB
SCHEMBL4035945 0.71 NR1H2 (0.38)
SCHEMBL4212522 0.68 GUCY1A1 (0.36) GPR119GUCY1A1GUCY1B1KCNH2
SCHEMBL4036847 0.68 CA1 (0.44) KMT2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040701-B1 AMINOINDAZOLE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2015-03-18 EP disclosed
EP-2040701-A2 AMINOINDAZOLE UREA DERIVATIVES Merck Patent GmbH (DE) 2009-04-01 EP disclosed
WO-2008009335-A2 AMINOINDAZOLE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2008-01-24 WO disclosed