SCHEMBL29888264

SCHEMBL29888264

C=C1CCN(c2ccc3ncnc(Nc4ccc(Oc5ccn(C)c(=O)c5)c(C)c4)c3c2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 15/20 0.47
EGFR P00533 10/20 0.47
NQO2 P16083 1/20 0.47
FECH P22830 1/20 0.47
MYH14 Q7Z406 1/20 0.47
RIPK3 Q9Y572 1/20 0.47
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL24569299 1.00 ERBB2 (0.47) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24569931 0.90 ERBB2 (0.45) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29888740 0.90 ERBB2 (0.45) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29888222 0.88 ERBB2 (0.44) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24569864 0.88 ERBB2 (0.44) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24569302 0.88 ERBB2 (0.50) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29887981 0.88 ERBB2 (0.53) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24569294 0.88 ERBB2 (0.63) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24569293 0.88 ERBB2 (0.53) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24569295 0.87 ERBB2 (0.53) ERBB2EGFRNQO2FECHMYH14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4267137-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 Enliven Inc. (US) 2023-11-01 EP disclosed
WO-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed