SCHEMBL25756928

SCHEMBL25756928

O=c1[nH]cnc2c1c(I)cn2C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.38
MAPT P10636 5/20 0.36
PARP1 P09874 6/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.32
DYRK1A Q13627 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CHEK1 O14757 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL15519307 0.72 SRC (0.40) SRCMAPTALDH1A1LMNAHTT
SCHEMBL21246931 0.71 SRC (0.37) SRCMAPTPARP1ALDH1A1LMNA
SCHEMBL20912362 0.71 MAPT (0.50) SRCMAPTPARP1ALDH1A1LMNA
SCHEMBL20898582 0.70 SRC (0.70) SRCMAPTALDH1A1LMNAHTT
SCHEMBL15520479 0.69 MAPT (0.33) SRCMAPTALDH1A1LMNAHTT
SCHEMBL21636975 0.69 PARP1 (0.41) SRCMAPTPARP1ALDH1A1LMNA
SCHEMBL22086072 0.69 SRC (0.53) SRCMAPTALDH1A1LMNAHTT
SCHEMBL21246839 0.69 KDM4E (0.39) SRCMAPTALDH1A1LMNAHTT
SCHEMBL21246829 0.68 SMN1; SMN2 (0.39) SRCMAPTALDH1A1LMNAHTT
SCHEMBL25065700 0.68 ABL1 (0.39) SRCALDH1A1HTTGAAKMT2A

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-2023109954-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 WO disclosed