SCHEMBL30522575

SCHEMBL30522575

COc1cnccc1-c1ccc(N)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46
CYP17A1 P05093 1/20 0.42
AAK1 Q2M2I8 4/20 0.41
CYP1A2 P05177 1/20 0.40
METAP2 P50579 1/20 0.40
POLQ O75417 1/20 0.39
NTRK1 P04629 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
KIT P10721 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL25300597 0.89 IMPDH2 (0.56) IMPDH2IMPDH1CYP17A1AAK1CYP1A2
SCHEMBL30522600 0.89 IMPDH2 (0.56) IMPDH2IMPDH1CYP17A1AAK1CYP1A2
SCHEMBL527200 0.88 IMPDH2 (0.46) IMPDH2IMPDH1CYP17A1CYP1A2NTRK1
SCHEMBL30522521 0.83 KIT (0.51) IMPDH2IMPDH1CYP17A1AAK1CYP1A2
SCHEMBL25255296 0.83 KIT (0.51) IMPDH2IMPDH1CYP17A1AAK1CYP1A2
SCHEMBL10272835 0.81 CYP17A1 (0.58) IMPDH2IMPDH1CYP17A1CYP1A2NTRK1
SCHEMBL12934590 0.79 CYP1A2 (0.49) CYP17A1AAK1CYP1A2METAP2POLQ
SCHEMBL527609 0.78 ABL1 (0.45) CYP17A1CYP1A2MAPTALDH1A1KDM4E
SCHEMBL10272836 0.78 IMPDH2 (0.55) IMPDH2IMPDH1CYP17A1CYP1A2NTRK1
SCHEMBL25252432 0.77 NTRK1 (0.48) IMPDH2IMPDH1AAK1CYP1A2NTRK1

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
CN-116547275-A IL-17A modulators 赛诺菲 2023-08-04 CN disclosed