SCHEMBL26696137

SCHEMBL26696137

c1ccc(-c2c[nH]c3cnccc23)cc1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 10/20 0.80
NFATC1 O95644 6/20 0.80
GSK3B P49841 4/20 0.80
HASPIN Q8TF76 2/20 0.65
IMPDH2 P12268 2/20 0.64
MAPK1 P28482 1/20 0.64
HSD17B10 Q99714 1/20 0.64
PDPK1 O15530 1/20 0.59
TGFBR1 P36897 1/20 0.59
IKBKE Q14164 1/20 0.59
TDO2 P48775 3/20 0.54
CDK2 P24941 3/20 0.53
DYRK1B Q9Y463 3/20 0.53
IGF1R P08069 2/20 0.53
PIM1 P11309 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
SCHEMBL30461701 0.89 DYRK1A (1.00) DYRK1ANFATC1GSK3BHASPINIMPDH2
SCHEMBL25421202 0.89 DYRK1A (1.00) DYRK1ANFATC1GSK3BHASPINIMPDH2
SCHEMBL17179566 0.88 DYRK1A (1.00) DYRK1ANFATC1GSK3BHASPINIMPDH2
SCHEMBL1413363 0.86 HASPIN (0.65) DYRK1ANFATC1GSK3BHASPINIMPDH2
SCHEMBL3709413 0.82 DYRK1A (0.55) DYRK1ANFATC1GSK3BHASPINIMPDH2
SCHEMBL18418490 0.81 TDO2 (0.72) DYRK1ANFATC1GSK3BHASPINIMPDH2
SCHEMBL26703619 0.81 DYRK1A (0.66) DYRK1ANFATC1GSK3BHASPINIMPDH2
SCHEMBL16596104 0.79 DYRK1A (0.70) DYRK1ANFATC1GSK3BHASPINIMPDH2
Lophocladine A SCHEMBL24941905 0.79 PARP1 (0.66) DYRK1ANFATC1GSK3BHASPINIMPDH2
SCHEMBL13051111 0.79 DYRK1A (0.62) DYRK1ANFATC1GSK3BHASPINPDPK1

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-4265613-A1 BENZENE RING COMPOUND AND USE THEREOF Nanjing Shijiang Medicine Technology Co., Ltd (CN) 2023-10-25 EP disclosed