SCHEMBL30729908

SCHEMBL30729908

CC(Oc1ccc(N)cc1Cl)c1cscn1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.39
SCN1A P35498 5/20 0.37
SCN5A Q14524 5/20 0.37
SCN8A Q9UQD0 5/20 0.37
CSNK2A1 P68400 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
CYP3A4 P08684 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
TSHR P16473 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
SCHEMBL27096999 1.00 POLB (0.51) POLBMAPK1SCN1ASCN5ASCN8A
SCHEMBL27096871 0.79 MAPT (0.45) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL31379518 0.73 POLB (0.42) POLBMAPK1SCN1ASCN5ASCN8A
SCHEMBL2103199 0.72 CSNK2A1 (0.61) POLBCSNK2A1ALDH1A1GAACYP3A4
SCHEMBL12173109 0.71 RORC (0.58) POLBMAPK1SCN1ASCN5ASCN8A
SCHEMBL2194043 0.70 SYK (0.46) POLBNPC1RAB9ACYP3A4KMT2A
SCHEMBL8309503 0.70 POLB (0.45) POLBMAPK1CSNK2A1NPC1RAB9A
Hydrochloric Acid SCHEMBL2195908 0.69 SYK (0.45) POLBCSNK2A1NPC1RAB9AALDH1A1
SCHEMBL2033241 0.68 POLB (1.00) POLBMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL8308295 0.67 POLB (0.44) POLBMAPK1SCN1ASCN5ASCN8A

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-2024026056-A2 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-02-01 WO disclosed