SCHEMBL25910370

SCHEMBL25910370

Ic1ccc(-c2c[nH]c3cnccc23)cn1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 0.66
NFATC1 O95644 6/20 0.66
GSK3B P49841 4/20 0.66
PDPK1 O15530 1/20 0.54
TGFBR1 P36897 1/20 0.54
IKBKE Q14164 1/20 0.54
CDK2 P24941 3/20 0.51
DYRK1B Q9Y463 3/20 0.51
IGF1R P08069 1/20 0.51
TDO2 P48775 4/20 0.47
HTR2A P28223 1/20 0.46
IMPDH2 P12268 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL25421202 0.80 DYRK1A (1.00) DYRK1ANFATC1GSK3BPDPK1TGFBR1
SCHEMBL30461701 0.80 DYRK1A (1.00) DYRK1ANFATC1GSK3BPDPK1TGFBR1
SCHEMBL26725844 0.80 DYRK1A (0.59) DYRK1ANFATC1GSK3BPDPK1TGFBR1
SCHEMBL17179566 0.79 DYRK1A (1.00) DYRK1ANFATC1GSK3BPDPK1TGFBR1
SCHEMBL26696137 0.77 DYRK1A (0.80) DYRK1ANFATC1GSK3BPDPK1TGFBR1
SCHEMBL16596104 0.74 DYRK1A (0.70) DYRK1ANFATC1GSK3BPDPK1TGFBR1
SCHEMBL26716515 0.74 DYRK1A (0.59) DYRK1ANFATC1GSK3BPDPK1TGFBR1
SCHEMBL31472564 0.73 DYRK1A (1.00) DYRK1ANFATC1GSK3BPDPK1TGFBR1
SCHEMBL18418490 0.73 TDO2 (0.72) DYRK1ANFATC1GSK3BPDPK1TGFBR1
SCHEMBL245511 0.72 DYRK1A (0.61) DYRK1ANFATC1GSK3BPDPK1TGFBR1

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-4219459-A1 1H-PYRROLO[2,3-C]PYRIDINE COMPOUNDS AND APPLICATION THEREOF Jumbo Drug Bank Co., Ltd. (CN) 2023-08-02 EP disclosed