SCHEMBL28298844

SCHEMBL28298844

FC1(F)CC1c1ncc2cc[nH]c2n1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.33
NUDT1 P36639 1/20 0.33
APP P05067 1/20 0.32
CDK8 P49336 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
MAPK1 P28482 1/20 0.31
RIPK1 Q13546 1/20 0.30
ABL1 P00519 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
SCHEMBL5355503 0.73 JAK1 (0.42) JAK2JAK1
SCHEMBL30406662 0.73 ALOX5AP (0.41) AXLNUDT1JAK2JAK1
SCHEMBL25523073 0.73 ALOX5AP (0.41) AXLNUDT1JAK2JAK1
SCHEMBL4062743 0.69 AXL (0.32) AXLNUDT1APPCDK8
SCHEMBL31251321 0.68 FAAH (0.36) AXLNUDT1JAK2JAK1PIK3CD
SCHEMBL16113191 0.67 APP (0.32) AXLNUDT1APP
SCHEMBL167083 0.64 AXL (0.42) AXLNUDT1APPCDK8PIK3CD
SCHEMBL1442938 0.64 AXL (0.42) AXLNUDT1APPCDK8JAK2
SCHEMBL29755564 0.64 ULK1 (0.43) AXLNUDT1CDK8PIK3CDPIK3CA
SCHEMBL15917037 0.64 MAPK1 (0.47) AXLNUDT1APPCDK8JAK2

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-109789135-A ISOQUINOLINE DERIVATIVES AS PERK INHIBITORS 葛兰素史密斯克莱知识产权发展有限公司 2019-05-21 CN disclosed