SCHEMBL24569839

SCHEMBL24569839

C=C1CCN(c2ccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(Cl)c4)c3c2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 13/20 0.52
EGFR P00533 12/20 0.52
NQO2 P16083 1/20 0.52
FECH P22830 1/20 0.52
MYH14 Q7Z406 1/20 0.52
RIPK3 Q9Y572 1/20 0.52

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
SCHEMBL24569294 0.91 ERBB2 (0.63) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24569314 0.91 ERBB2 (0.52) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29887951 0.83 ERBB2 (0.48) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24569682 0.83 ERBB2 (0.48) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29888803 0.83 EGFR (0.49) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24569306 0.83 EGFR (0.49) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24167309 0.82 EGFR (0.57) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24569712 0.82 ERBB2 (0.50) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24570209 0.81 EGFR (0.59) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29887972 0.81 EGFR (0.59) 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 3 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
WO-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed