SCHEMBL29888804

SCHEMBL29888804

C=C1CCN(c2ccc3ncnc(Nc4ccc(Cc5ccc6c(c5)ncn6C)c(C)c4)c3c2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 2/20 0.35
ERBB2 P04626 6/20 0.35
EIF2AK2 P19525 1/20 0.35
CD38 P28907 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
AHR P35869 1/20 0.33
BRAF P15056 1/20 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
SCHEMBL24569933 1.00 EGFR (0.38) EGFRSMN1; SMN2MAPTHTTLMNA
SCHEMBL24570035 0.87 EGFR (0.37) EGFRSMN1; SMN2MAPTHTTLMNA
SCHEMBL29888044 0.87 EGFR (0.37) EGFRSMN1; SMN2MAPTHTTLMNA
SCHEMBL24569937 0.87 EGFR (0.37) EGFRSMN1; SMN2MAPTHTTLMNA
SCHEMBL24569302 0.84 ERBB2 (0.50) EGFRERBB2
SCHEMBL24569812 0.82 EGFR (0.43) EGFRSMN1; SMN2MAPTHTTLMNA
SCHEMBL24569954 0.82 HTT (0.55) EGFRSMN1; SMN2MAPTHTTLMNA
SCHEMBL26000095 0.81 EGFR (0.45) EGFRERBB2EIF2AK2
SCHEMBL24569953 0.80 EGFR (0.44) EGFRSMN1; SMN2MAPTHTTLMNA
SCHEMBL29887934 0.80 EGFR (0.44) EGFRSMN1; SMN2MAPTHTTLMNA

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