SCHEMBL29956652

SCHEMBL29956652

O=Cc1ccc2c(-c3ccccc3)c[nH]c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 8/20 0.45
CDK8 P49336 1/20 0.45
TNIK Q9UKE5 1/20 0.45
PARP1 P09874 1/20 0.45
CLK2 P49760 5/20 0.43
CLK4 Q9HAZ1 5/20 0.43
PRKD3 O94806 4/20 0.43
FLT4 P35916 4/20 0.43
KDR P35968 4/20 0.43
FLT3 P36888 4/20 0.43
FRK P42685 4/20 0.43
CAMK2B Q13554 4/20 0.43
CAMK2G Q13555 4/20 0.43
CAMK2D Q13557 4/20 0.43
NTRK3 Q16288 4/20 0.43
PKN2 Q16513 4/20 0.43
PRKD2 Q9BZL6 4/20 0.43
SLK Q9H2G2 4/20 0.43
SGK2 Q9HBY8 4/20 0.43
CDK5 Q00535 3/20 0.43

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
SCHEMBL29953681 0.77 CDK8 (0.50) AXLCDK8CLK2CLK4PRKD3
SCHEMBL24323860 0.77 CCR1 (0.39) PIM1MAPK1HASPIN
SCHEMBL29600275 0.77 CCR1 (0.39) PIM1MAPK1HASPIN
SCHEMBL24324039 0.73 CCR1 (0.39) ITKMAPK1BTK
SCHEMBL771611 0.72 CAMKK2 (0.55) AXLCDK8TNIKPARP1CLK2
SCHEMBL13045978 0.72 DYRK1A (0.76) AXLCDK8TNIKCLK2CLK4
SCHEMBL13834371 0.70 LRRK2 (0.49) DYRK1AROCK2IMPDH2ROCK1CDC42BPA
SCHEMBL11467387 0.70 CSNK2A2 (0.48) CSNK2A1
SCHEMBL29952518 0.70 AXL (0.70) AXLCDK8TNIKCLK2CLK4
SCHEMBL2830315 0.69 CCR1 (0.42)

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed