SCHEMBL29648620

SCHEMBL29648620

O=C1NCCCC[C@@H]1Nc1nc2ccccc2c2nc(-c3ccc(Cl)cc3OC(F)(F)F)nn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
MAPT P10636 2/20 0.35
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FPR2 P25090 1/20 0.34
SCN9A Q15858 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
TACR2 P21452 1/20 0.33
TACR1 P25103 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MGLL Q99685 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL22979590 1.00 MKNK1 (0.36) MKNK1MKNK2MAPTADORA2AADORA1
SCHEMBL29648888 1.00 MKNK1 (0.36) MKNK1MKNK2MAPTADORA2AADORA1
SCHEMBL22988022 1.00 MKNK1 (0.36) MKNK1MKNK2MAPTADORA2AADORA1
SCHEMBL22979138 0.98 MAPT (0.36) MKNK1MKNK2MAPTFPR2SCN9A
SCHEMBL29645587 0.98 MAPT (0.36) MKNK1MKNK2MAPTFPR2SCN9A
SCHEMBL29648688 0.95 MKNK1 (0.35) MKNK1MKNK2MAPTADORA2AADORA1
SCHEMBL22979155 0.95 MKNK1 (0.35) MKNK1MKNK2MAPTADORA2AADORA1
SCHEMBL29648646 0.95 MKNK1 (0.35) MKNK1MKNK2MAPTADORA2AADORA1
SCHEMBL22979255 0.95 MKNK1 (0.35) MKNK1MKNK2MAPTADORA2AADORA1
SCHEMBL22980806 0.95 MAPT (0.37) MAPTFPR2SCN9AADORA3MGLL

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-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP claimed