SCHEMBL22562231

SCHEMBL22562231

Cc1ccc2c3ccccc3n(-c3cc(C(F)(F)F)cc(-n4c5ccccc5c5ccc(C)cc54)c3-c3cccc(-c4ccccc4)n3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
GSK3B P49841 4/20 0.34
TACR1 P25103 4/20 0.33
MAT2A P31153 2/20 0.33
ENPP1 P22413 1/20 0.33
MAPT P10636 1/20 0.33
NR1I2 O75469 1/20 0.33
EGFR P00533 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
TBXA2R P21731 1/20 0.33
PTGS2 P35354 1/20 0.33
OPRD1 P41143 1/20 0.33
PDE4D Q08499 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33

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
SCHEMBL22562230 0.97 RAB9A (0.36) KIF11MEN1RAB9AKMT2AGSK3B
SCHEMBL22562232 0.94 GSK3B (0.35) KIF11MEN1RAB9AKMT2AGSK3B
SCHEMBL22562227 0.93 MAPT (0.36) KIF11MEN1KMT2ATACR1ENPP1
SCHEMBL22562609 0.89 RAB9A (0.36) KIF11MEN1RAB9AKMT2ATACR1
SCHEMBL22562473 0.89 GSK3B (0.33) KIF11MEN1RAB9AKMT2AGSK3B
SCHEMBL22562228 0.89 ENPP1 (0.38) KMT2AGSK3BTACR1MAT2AENPP1
SCHEMBL22562407 0.87 PDK2 (0.37) KIF11GSK3BENPP1MGAMGAA
SCHEMBL22562402 0.87 MAPT (0.35) MEN1RAB9AKMT2AGSK3BMAT2A
SCHEMBL22562405 0.87 MAT2A (0.41) KIF11MEN1RAB9AKMT2AMAT2A
SCHEMBL22562404 0.86 PDK2 (0.34) MEN1RAB9AKMT2AGSK3BMAT2A

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-3418278-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP disclosed