SCHEMBL29888162

SCHEMBL29888162

Fc1cc(Nc2ncnc3ccc(Br)cc23)ccc1Oc1ccn2ncnc2c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 12/20 0.59
EGFR P00533 2/20 0.59
NQO2 P16083 1/20 0.59
FECH P22830 1/20 0.59
MYH14 Q7Z406 1/20 0.59
RIPK3 Q9Y572 1/20 0.59
GCK P35557 1/20 0.47
ALK Q9UM73 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL24569312 1.00 ERBB2 (0.59) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24167911 0.91 ERBB2 (0.57) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29887972 0.89 EGFR (0.59) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29888058 0.89 ERBB2 (0.73) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29888276 0.89 ERBB2 (0.73) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24570209 0.89 EGFR (0.59) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24569366 0.89 ERBB2 (0.73) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24168191 0.86 ERBB2 (0.55) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24570021 0.85 ERBB2 (0.52) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29888341 0.85 ERBB2 (0.52) 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