SCHEMBL24569385

SCHEMBL24569385

Cc1cc(Nc2ncnc3ccc(Br)cc23)ccc1Cc1ccn2ncnc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.49
ERBB2 P04626 3/20 0.49
NQO2 P16083 1/20 0.49
FECH P22830 1/20 0.49
MYH14 Q7Z406 1/20 0.49
RIPK3 Q9Y572 1/20 0.49
MAPK1 P28482 2/20 0.47
NPC1 O15118 2/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALK Q9UM73 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 4/20 0.44
HTT P42858 4/20 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
SCHEMBL29888850 1.00 EGFR (0.49) EGFRERBB2NQO2FECHMYH14
SCHEMBL24569870 0.92 HTT (0.55) EGFRERBB2NQO2FECHMYH14
SCHEMBL24167890 0.91 EGFR (0.48) EGFRERBB2NQO2FECHMYH14
SCHEMBL29888075 0.90 EGFR (0.47) EGFRERBB2NQO2FECHMYH14
SCHEMBL29887887 0.90 EGFR (0.47) EGFRERBB2NQO2FECHMYH14
SCHEMBL24569409 0.90 EGFR (0.47) EGFRERBB2NQO2FECHMYH14
SCHEMBL29888339 0.86 KDM4E (0.53) EGFRERBB2NQO2FECHMYH14
SCHEMBL24569376 0.86 KDM4E (0.53) EGFRERBB2NQO2FECHMYH14
SCHEMBL24167630 0.86 MAPT (0.51) EGFRERBB2NQO2FECHMYH14
SCHEMBL26008684 0.86 EGFR (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed