SCHEMBL30700820

SCHEMBL30700820

O=C1NCc2c1ccnc2-c1cc[nH]c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.38
DYRK1A Q13627 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
PIM1 P11309 1/20 0.38
CSNK1A1 P48729 1/20 0.38
ROCK1 Q13464 1/20 0.38
LRRK2 Q5S007 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
PRKCI P41743 1/20 0.36
LTK P29376 1/20 0.34
MST1R Q04912 1/20 0.34
CDC7 O00311 1/20 0.34
IDO1 P14902 1/20 0.34
PIK3CD O00329 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
KDR P35968 3/20 0.32
TBK1 Q9UHD2 1/20 0.32
GRM2 Q14416 1/20 0.32
PRKD1 Q15139 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
SCHEMBL30700995 0.80 CDC7 (0.50) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL18789132 0.75 PRKCI (0.56) CLK4PIM1ROCK1DYRK1BPRKCI
SCHEMBL30543363 0.71 GSTP1 (0.43) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL30311795 0.70 BRAF (0.35) IDO1BRAFATRATRIP
SCHEMBL14352065 0.70 CDC7 (0.46) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL30775203 0.70 PARP10 (0.45) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL29736680 0.69 MAP4K1 (0.50)
SCHEMBL24466337 0.68 CDK5 (0.46) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL15566157 0.68 CLK4 (0.46) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL16921409 0.68 CDK5 (0.46) CDK5DYRK1ACLK4PIM1CSNK1A1

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-117295737-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2023-12-26 CN disclosed