SCHEMBL29648646

SCHEMBL29648646

O=C1NCCCC[C@H]1Nc1nc2ccccc2c2nc(-c3cc(Cl)ccc3OC(F)(F)F)nn12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.35
MKNK2 Q9HBH9 2/20 0.35
MAPT P10636 1/20 0.35
SCN9A Q15858 2/20 0.35
FPR2 P25090 1/20 0.35
MGLL Q99685 1/20 0.34
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
S1PR2 O95136 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
TP53 P04637 1/20 0.34
TACR2 P21452 1/20 0.33
TACR1 P25103 1/20 0.33
ACP1 P24666 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
SCHEMBL22979155 1.00 MKNK1 (0.35) MKNK1MKNK2MAPTSCN9AFPR2
SCHEMBL29648688 1.00 MKNK1 (0.35) MKNK1MKNK2MAPTSCN9AFPR2
SCHEMBL22979255 1.00 MKNK1 (0.35) MKNK1MKNK2MAPTSCN9AFPR2
SCHEMBL22979398 0.98 MAPT (0.35) MAPTSCN9AFPR2MGLLHCRTR1
SCHEMBL29645450 0.98 MAPT (0.35) MAPTSCN9AFPR2MGLLHCRTR1
SCHEMBL22988022 0.95 MKNK1 (0.36) MKNK1MKNK2MAPTSCN9AFPR2
SCHEMBL22979590 0.95 MKNK1 (0.36) MKNK1MKNK2MAPTSCN9AFPR2
SCHEMBL29648620 0.95 MKNK1 (0.36) MKNK1MKNK2MAPTSCN9AFPR2
SCHEMBL29648888 0.95 MKNK1 (0.36) MKNK1MKNK2MAPTSCN9AFPR2
SCHEMBL22979487 0.95 SCN9A (0.37) MAPTSCN9AFPR2MGLLHCRTR1

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