SCHEMBL2356255

SCHEMBL2356255

Cc1c(N2CCN(C)CC2)cc(NC(=O)c2cccnc2-n2ccnn2)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 4/20 0.46
CHIA Q9BZP6 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
KDR P35968 2/20 0.43
LCK P06239 1/20 0.43
MAPK14 Q16539 1/20 0.43
CSF1R P07333 2/20 0.42
PDGFRA P16234 1/20 0.42
FLT4 P35916 1/20 0.42
FLT3 P36888 1/20 0.42
KCNH2 Q12809 1/20 0.42
KIT P10721 1/20 0.40
PTGES O14684 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
SCHEMBL2355869 0.80 HCRTR1 (0.46) MALT1
SCHEMBL2358231 0.79 CHRM1 (0.47) MALT1CSF1RPDGFRAFLT4FLT3
SCHEMBL2357650 0.72 CSF1R (0.48) KDRLCKMAPK14CSF1RFLT3
SCHEMBL2357713 0.70 HCRTR1 (0.42) MALT1PTGES
SCHEMBL2356235 0.69 MEN1 (0.49) MALT1KMT2AMEN1MAPTALDH1A1
SCHEMBL2359008 0.66 HCRTR1 (0.41) MALT1
SCHEMBL2356823 0.65 ABL1 (0.47)
SCHEMBL2359300 0.64 BRAF (0.45) MALT1MAPTLMNAGAAMAPK1
SCHEMBL28877061 0.64 EPHX2 (0.49) MALT1MAPTHTTGAA
SCHEMBL2356052 0.64 KDM4E (0.45) KMT2AMEN1ALDH1A1KDM4EGAA

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-2350052-A2 ANTIPROLIFERATIVE COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2011-08-03 EP claimed
WO-2010034838-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO claimed