SCHEMBL30367804

SCHEMBL30367804

COc1cc(Nc2nc(Nc3cccc(OCCN4CCCC4)c3)ncc2C#N)c(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.52
ABL1 P00519 5/20 0.52
BCR P11274 3/20 0.52
EGFR P00533 2/20 0.50
ERBB2 P04626 2/20 0.50
FYN P06241 2/20 0.50
LYN P07948 2/20 0.50
SYK P43405 2/20 0.48
ALK Q9UM73 2/20 0.47
ABL2 P42684 2/20 0.47
STK25 O00506 1/20 0.47
CIT O14578 1/20 0.47
RIOK3 O14730 1/20 0.47
MAP2K7 O14733 1/20 0.47
CHEK1 O14757 1/20 0.47
CASK O14936 1/20 0.47
GAK O14976 1/20 0.47
EPHB6 O15197 1/20 0.47
MAP3K13 O43283 1/20 0.47
MAP3K7 O43318 1/20 0.47

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
SCHEMBL265051 1.00 SRC (0.52) SRCABL1BCREGFRERBB2
SCHEMBL12320573 0.94 SRC (0.52) SRCABL1BCRSYKALK
SCHEMBL264711 0.91 SRC (0.54) SRCABL1BCREGFRERBB2
SCHEMBL263862 0.89 BRD4 (0.56) SRCABL1BCREGFRFYN
SCHEMBL269990 0.86 SYK (0.48) SRCABL1BCREGFRFYN
SCHEMBL12320602 0.85 SRC (0.54) SRCABL1BCREGFRJAK2
SCHEMBL12320601 0.84 BRD4 (0.54) SRCABL1BCREGFRFYN
SCHEMBL271265 0.81 BRD4 (0.59) SRCABL1BCREGFRFYN
SCHEMBL5469368 0.79 PRKCQ (0.65) SRCABL1BCRLCKPRKCE
SCHEMBL263867 0.78 PRKCQ (0.51) SRCEGFRSYKJAK2YES1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118021814-A Combination therapy with EHMT2 inhibitors EPIZYME股份有限公司 2024-05-14 CN disclosed
CN-110621316-B Combination therapy with EHMT2 inhibitors EPIZYME股份有限公司 2024-01-26 CN disclosed
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed