SCHEMBL22258786

SCHEMBL22258786

O=C(NC1CCOCC1)c1c[nH]nc1-c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.48
CSNK2A1 P68400 1/20 0.48
GABRA5 P31644 4/20 0.46
DYRK1A Q13627 2/20 0.42
PIM1 P11309 2/20 0.42
PIK3C3 Q8NEB9 1/20 0.41
LRRK2 Q5S007 1/20 0.41
PDE4B Q07343 3/20 0.40
CNR2 P34972 1/20 0.40
CHEK1 O14757 1/20 0.39
P2RX3 P56373 1/20 0.39

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
SCHEMBL22258956 0.83 ROCK2 (0.44) DYRK1APIM1
SCHEMBL22258664 0.80 CHEK1 (0.57) CHEK1
SCHEMBL13375184 0.77 LMNA (0.42) GABRA5PDE4BCNR2
SCHEMBL15660637 0.77 EIF4E (0.47) GABRA5PIM1CNR2CHEK1
SCHEMBL13374017 0.74 KDM1A (0.40) PDE4BCNR2CHEK1
SCHEMBL13373952 0.74 HPGD (0.38) DYRK1APIK3C3PDE4BCNR2CHEK1
SCHEMBL15705201 0.74 SMN1; SMN2 (0.56) CHEK1
SCHEMBL22258961 0.72 CNR1 (0.47) CNR2
SCHEMBL15661172 0.71 HPGD (0.37) PIM1PDE4BCHEK1
SCHEMBL15660027 0.71 ALDH1A1 (0.39) PIM1PDE4BCHEK1

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-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 WO disclosed