SCHEMBL30829062

SCHEMBL30829062

Cc1ccn2c(C3=NC(C)(C)C(F)(F)c4ccccc43)cnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 3/20 0.46
GABRB3 P28472 3/20 0.46
GABRA3 P34903 3/20 0.46
GABRA1 P14867 2/20 0.46
GABRA5 P31644 1/20 0.46
GABRA2 P47869 1/20 0.46
FLT3 P36888 7/20 0.40
KDR P35968 4/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
PKM P14618 1/20 0.36
PIK3CA P42336 1/20 0.34
PDK2 Q15119 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 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
SCHEMBL20474224 1.00 GABRG2 (0.46) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL20474157 0.82 GABRG2 (0.47) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL30829063 0.82 GABRG2 (0.47) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL20474249 0.81
SCHEMBL30377868 0.81
SCHEMBL18497913 0.79 IDO1 (0.33) PDK2
SCHEMBL30829058 0.79 IDO1 (0.33) PDK2
SCHEMBL20474175 0.77 PTPN11 (0.31) PDK2
SCHEMBL18497880 0.77
SCHEMBL20474150 0.70 GABRG2 (0.38) GABRG2GABRB3GABRA3GABRA1GABRA5

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-3929197-B1 INTERMEDIATES FOR THE SYNTHESIS OF MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2024-03-06 EP disclosed