SCHEMBL30847486

SCHEMBL30847486

Clc1nccc(-c2ccc3[nH]ncc3c2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 6/20 0.58
CLK2 P49760 6/20 0.58
DYRK1A Q13627 6/20 0.58
CLK4 Q9HAZ1 6/20 0.58
DYRK1B Q9Y463 5/20 0.58
CLK3 P49761 3/20 0.58
GSK3B P49841 8/20 0.55
ROCK2 O75116 7/20 0.55
PIM1 P11309 6/20 0.55
AURKB Q96GD4 5/20 0.55
KDR P35968 2/20 0.55
JAK2 O60674 1/20 0.55
PAK4 O96013 1/20 0.55
CDK2 P24941 2/20 0.53
TRPA1 O75762 3/20 0.52
NOS1 P29475 1/20 0.51
DYRK3 O43781 2/20 0.51
CDK5 Q00535 2/20 0.51
CDK5R1 Q15078 1/20 0.51
DYRK2 Q92630 1/20 0.51

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
SCHEMBL27154225 1.00 CLK1 (0.58) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL29354919 0.82 ROCK2 (0.58) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL7716146 0.82 ROCK2 (0.58) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL3400660 0.78 AHR (0.49) DYRK1ADYRK1BJAK2CDK2DYRK3
SCHEMBL29627852 0.78 TGFBR1 (0.40) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL15344157 0.76 GSK3B (0.57) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL3799521 0.75 CLK1 (0.61) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL30805622 0.75 GSK3B (0.63) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL5014101 0.74 CLK1 (0.64) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL16740690 0.74 NOS1 (0.72) CLK1CLK2DYRK1ACLK4DYRK1B

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
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed