SCHEMBL30504129

SCHEMBL30504129

CCOC(=O)c1cnc(Cl)nc1Nc1ccc2[nH]ncc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.60
ERBB2 P04626 1/20 0.60
SYK P43405 7/20 0.57
DHODH Q02127 1/20 0.54
JAK2 O60674 1/20 0.49
JAK3 P52333 1/20 0.49
NPSR1 Q6W5P4 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ROCK2 O75116 1/20 0.49
RAB9A P51151 3/20 0.48
XBP1 P17861 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 2/20 0.48
HTT P42858 3/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL30504139 1.00 EGFR (0.60) EGFRERBB2SYKDHODHJAK2
SCHEMBL22401298 1.00 EGFR (0.60) EGFRERBB2SYKDHODHJAK2
SCHEMBL14607400 0.89 EGFR (0.61) EGFRERBB2SYKDHODHJAK2
SCHEMBL6644053 0.86 SYK (0.67) EGFRERBB2SYKDHODHJAK2
SCHEMBL2627315 0.83 SYK (0.60) SYKDHODHNPSR1MEN1KMT2A
SCHEMBL4713013 0.81 SYK (0.67) SYKNPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL2627263 0.80 SYK (0.58) SYKNPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL656113 0.80 SYK (0.58) EGFRERBB2SYKNPSR1MEN1
SCHEMBL2627347 0.80 SYK (0.60) SYKNPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL655545 0.80 SYK (0.59) SYKNPSR1MEN1KMT2ASMN1; SMN2

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-111527084-B Isofuranone compounds useful as HPK1 inhibitors 百时美施贵宝公司 2023-07-18 CN disclosed