SCHEMBL21975721

SCHEMBL21975721

CN1CCc2c(Oc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)cc(-c3cccnc3)nc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ ABL1 P00519 2/20 0.48
▸ BCR P11274 2/20 0.48
▸ PIKFYVE Q9Y2I7 3/20 0.48
▸ TEK Q02763 2/20 0.48
▸ BRAF P15056 7/20 0.48
▸ CSF1R P07333 4/20 0.47
▸ NTRK1 P04629 1/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ KIT P10721 1/20 0.46
▸ FGFR1 P11362 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ FLT1 P17948 1/20 0.46
▸ FGFR3 P22607 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ RAF1 P04049 1/20 0.46
▸ MAPT P10636 1/20 0.44

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
SCHEMBL21943735 0.82 BRAF (0.51) MEN1KMT2ATSHRABL1BCR
SCHEMBL21943070 0.79 MEN1 (0.53) MEN1KMT2ATSHRABL1BCR
SCHEMBL21944047 0.79 PIKFYVE (0.67) MEN1KMT2ATSHRABL1BCR
SCHEMBL12412290 0.77 MEN1 (0.71) MEN1KMT2ATSHRTEKBRAF
SCHEMBL21943014 0.76 PIKFYVE (0.65) MEN1KMT2ATSHRABL1BCR
SCHEMBL21943450 0.74 BRAF (0.51) MEN1KMT2ATEKBRAFPDGFRB
SCHEMBL21944046 0.74 BRAF (0.66) MEN1KMT2ATSHRABL1BCR
SCHEMBL21943325 0.74 BRAF (0.52) MEN1KMT2ATSHRABL1BCR
SCHEMBL21943517 0.72 TEK (0.57) ABL1BCRPIKFYVETEKBRAF
SCHEMBL21943069 0.71 KDR (0.51) MEN1KMT2ATSHRTEKBRAF

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-3647313-A1 SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Xiamen University (CN) 2020-05-06 — — EP disclosed
Send feedback