SCHEMBL1703241

SCHEMBL1703241

O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1-c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 9/20 0.68
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
TSHR P16473 1/20 0.67
CSF1R P07333 4/20 0.61
KIT P10721 2/20 0.61
KDR P35968 2/20 0.61
MAPK14 Q16539 1/20 0.61
P2RX1 P51575 1/20 0.60
MAPT P10636 1/20 0.60
PTGS1 P23219 1/20 0.59
BRAF P15056 1/20 0.57
ABL1 P00519 1/20 0.56
EGFR P00533 1/20 0.56
PDGFRB P09619 1/20 0.56
FLT1 P17948 1/20 0.56
FLT4 P35916 1/20 0.56
IDH2 P48735 1/20 0.56
EPAS1 Q99814 1/20 0.55

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
SCHEMBL16670141 0.88 HTT (0.69) RXFP1MEN1KMT2AP2RX1MAPT
SCHEMBL29561761 0.88 HTT (0.69) RXFP1MEN1KMT2AP2RX1MAPT
SCHEMBL15529261 0.81 RXFP1 (1.00) RXFP1MEN1KMT2ATSHRCSF1R
SCHEMBL5178391 0.80 MEN1 (1.00) RXFP1MEN1KMT2ATSHRCSF1R
SCHEMBL1032356 0.80 CSF1R (0.54) RXFP1MEN1KMT2ATSHRCSF1R
SCHEMBL6774617 0.79 CHRNB2 (0.71) MEN1KMT2AMAPT
SCHEMBL4978213 0.78 KDR (0.79) RXFP1MEN1KMT2ATSHRCSF1R
SCHEMBL1034424 0.78 CSF1R (0.52) RXFP1MEN1KMT2ATSHRCSF1R
SCHEMBL14372340 0.78 ATR (0.66) MEN1KMT2AMAPTBRAFABL1
SCHEMBL7608638 0.77 KMT2A (0.58) RXFP1MEN1KMT2ATSHRCSF1R

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-2440058-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES Dana-Farber Cancer Institute, Inc. (US) 2012-04-18 EP disclosed