SCHEMBL29695682

SCHEMBL29695682

Cc1cnc(Cl)nc1-n1ncc2cc(N)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
DAPK3 O43293 1/20 0.43
CSNK1A1 P48729 1/20 0.43
GSK3A P49840 1/20 0.43
LIMK1 P53667 1/20 0.43
IKBKE Q14164 1/20 0.43
MAPK14 Q16539 1/20 0.43
TAOK1 Q7L7X3 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
RPS6KA5 O75582 1/20 0.40
IRAK4 Q9NWZ3 6/20 0.37
BRPF1 P55201 1/20 0.35
HSP90AB1 P08238 1/20 0.34
KDR P35968 1/20 0.34
NR3C1 P04150 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL29445654 0.81 NR3C1 (0.37) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL29445652 0.80 NR3C1 (0.37) CHEK1AURKADAPK3CSNK1A1GSK3A
Ammonia Solution, Strong SCHEMBL28709962 0.80 NR3C1 (0.37) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL29695764 0.75 CHEK1 (0.41) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL3033771 0.72 TUBB4A (0.37) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL1701230 0.70 CHEK1 (0.46) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL9210022 0.70 MAPT (0.52) NR3C1CYP11B1CYP11B2PGRSMN1; SMN2
SCHEMBL13836976 0.70 CHEK1 (0.50) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL18298354 0.68 RPS6KA5 (0.40) CSNK1A1CLK4RPS6KA5SMN1; SMN2
SCHEMBL21295429 0.67 NR3C1 (0.54) CHEK1AURKADAPK3CSNK1A1GSK3A

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
EP-2903618-B1 RHO KINASE INHIBITORS KADMON CORP LLC (US) 2022-06-01 EP disclosed