SCHEMBL30091626

SCHEMBL30091626

Cc1ccc(OCCCBr)cc1-c1ccnc(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.44
GSK3B P49841 1/20 0.41
AAK1 Q2M2I8 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
ABL1 P00519 2/20 0.38
REN P00797 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
DYRK2 Q92630 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
PIM1 P11309 1/20 0.36
CDK9 P50750 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL22272939 1.00 DYRK1A (0.44) DYRK1AGSK3BAAK1MAOAMAOB
SCHEMBL30091686 0.86 TSHR (0.46) DYRK1AGSK3BAAK1NPC1RAB9A
SCHEMBL23927511 0.86 TSHR (0.46) DYRK1AGSK3BAAK1NPC1RAB9A
SCHEMBL25877903 0.85 DYRK1A (0.49) DYRK1AGSK3BAAK1MAOAABL1
SCHEMBL22273007 0.84 DYRK1A (0.42) DYRK1AGSK3BAAK1MKNK1
SCHEMBL25877884 0.84 DYRK1A (0.42) DYRK1AGSK3BAAK1ABL1REN
SCHEMBL23956537 0.83 DYRK1A (0.41) DYRK1AGSK3BAAK1MAOAABL1
SCHEMBL22272613 0.82 DYRK1A (0.46) DYRK1AGSK3BAAK1MAOAREN
SCHEMBL22272533 0.82 DYRK1A (0.43) DYRK1AGSK3BAAK1ABL1REN
SCHEMBL25877728 0.80 DYRK1A (0.64) DYRK1AGSK3BAAK1ABL1MEN1

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
CN-113166116-B Amido bridged heterocyclic compound, and composition and application thereof 北京赛特明强医药科技有限公司 2022-12-27 CN disclosed