SCHEMBL29888199

SCHEMBL29888199

C=C1CCN(c2ccc3ncnc(Nc4ccc(Cc5ccn6ncnc6c5)cc4)c3c2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.39
ERBB2 P04626 2/20 0.39
NQO2 P16083 1/20 0.39
FECH P22830 1/20 0.39
MYH14 Q7Z406 1/20 0.39
RIPK3 Q9Y572 1/20 0.39
CD38 P28907 2/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
AHR P35869 1/20 0.37
HTT P42858 1/20 0.37
EIF2AK2 P19525 1/20 0.36
PI4KB Q9UBF8 1/20 0.34
PIP4K2A P48426 2/20 0.33
PIK3CG P48736 3/20 0.33
PIK3CA P42336 2/20 0.33

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
SCHEMBL24569380 1.00 EGFR (0.39) EGFRERBB2NQO2FECHMYH14
SCHEMBL24569812 0.89 EGFR (0.43) EGFRERBB2NQO2FECHMYH14
SCHEMBL29888115 0.82 CD38 (0.42) EGFRERBB2CD38MAPTMAPK1
SCHEMBL24569809 0.82 CD38 (0.42) EGFRERBB2CD38MAPTMAPK1
SCHEMBL24167293 0.81 EGFR (0.52) EGFRERBB2NQO2FECHMYH14
SCHEMBL24569294 0.80 ERBB2 (0.63) EGFRERBB2NQO2FECHMYH14
SCHEMBL24569314 0.80 ERBB2 (0.52) EGFRERBB2NQO2FECHMYH14
SCHEMBL24569650 0.80 ERBB2 (0.43) EGFRERBB2NQO2FECHMYH14
SCHEMBL24569839 0.80 ERBB2 (0.52) EGFRERBB2NQO2FECHMYH14
SCHEMBL24569376 0.79 KDM4E (0.53) EGFRERBB2NQO2FECHMYH14

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