SCHEMBL30370545

SCHEMBL30370545

Fc1ccc2cc[nH]c2n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.45
NUDT1 P36639 1/20 0.45
AHR P35869 2/20 0.40
APP P05067 4/20 0.40
BRD4 O60885 1/20 0.39
TNF P01375 1/20 0.38
RIPK1 Q13546 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
MAPK1 P28482 4/20 0.35
CDK8 P49336 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
JAK2 O60674 1/20 0.32
SYK P43405 1/20 0.32

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
SCHEMBL25283774 0.73 ADORA2A (0.62) AXLAPP
SCHEMBL29365560 0.71 AXL (0.45) AXLNUDT1AHRAPPBRD4
SCHEMBL414134 0.71 MAPK1 (0.45) AXLNUDT1AHRAPPBRD4
SCHEMBL29497464 0.71 ADORA2A (0.57) AXLNUDT1APPBRD4MAPK1
SCHEMBL1334813 0.71 AXL (0.45) AXLNUDT1APPBRD4MAPK1
SCHEMBL4063067 0.71 AXL (0.45) AXLNUDT1AHRAPPBRD4
SCHEMBL343400 0.71 ADORA2A (0.57) AXLNUDT1APPBRD4MAPK1
SCHEMBL12798351 0.71 AXL (0.45) AXLNUDT1AHRAPPBRD4
SCHEMBL31276718 0.71 AXL (0.45) AXLNUDT1AHRAPPBRD4
SCHEMBL29362558 0.71 MAPK1 (0.45) AXLNUDT1AHRAPPBRD4

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-108727369-B Influenza virus replication inhibitors and uses thereof 广东东阳光药业有限公司 2023-06-09 CN disclosed