SCHEMBL29648750

SCHEMBL29648750

O=C1NCCCC[C@H]1Nc1nc2c(Br)cccc2c2nc(-c3ccccc3OC(F)(F)F)nn12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
PLAT P00750 4/20 0.35
S1PR1 P21453 1/20 0.35
MGLL Q99685 1/20 0.33
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SCN9A Q15858 2/20 0.32
TNF P01375 1/20 0.31
LITAF Q99732 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HCRTR1 O43613 2/20 0.30
HCRTR2 O43614 2/20 0.30
ACP1 P24666 1/20 0.30

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
SCHEMBL22979265 1.00 DDB1 (0.35) DDB1CRBNPLATS1PR1MGLL
SCHEMBL22978959 0.98 DDB1 (0.35) DDB1CRBNPLATS1PR1MGLL
SCHEMBL29645983 0.98 DDB1 (0.35) DDB1CRBNPLATS1PR1MGLL
SCHEMBL22979910 0.94 PLAT (0.38) DDB1CRBNPLATS1PR1MGLL
SCHEMBL29645529 0.94 PLAT (0.38) DDB1CRBNPLATS1PR1MGLL
SCHEMBL22978985 0.90 TACR1 (0.32) SCN9AHCRTR1HCRTR2
SCHEMBL29648710 0.90 TACR1 (0.32) SCN9AHCRTR1HCRTR2
SCHEMBL29648704 0.90 TACR1 (0.32) SCN9AHCRTR1HCRTR2
SCHEMBL22980169 0.90 TACR1 (0.32) SCN9AHCRTR1HCRTR2
SCHEMBL22987860 0.89 PLAT (0.35) DDB1CRBNPLATMGLLADORA2A

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