SCHEMBL24569870

SCHEMBL24569870

Cc1ccc2ncnc(Nc3ccc(Cc4ccn5ncnc5c4)c(C)c3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
EGFR P00533 10/20 0.48
ERBB2 P04626 5/20 0.48
NQO2 P16083 1/20 0.48
FECH P22830 1/20 0.48
MYH14 Q7Z406 1/20 0.48
RIPK3 Q9Y572 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 2/20 0.47
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HIF1A Q16665 1/20 0.38

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
SCHEMBL24569385 0.92 EGFR (0.49) HTTMAPTLMNASMN1; SMN2EGFR
SCHEMBL24167890 0.92 EGFR (0.48) HTTMAPTLMNASMN1; SMN2EGFR
SCHEMBL29888850 0.92 EGFR (0.49) HTTMAPTLMNASMN1; SMN2EGFR
SCHEMBL29887887 0.91 EGFR (0.47) HTTMAPTLMNASMN1; SMN2EGFR
SCHEMBL29888075 0.91 EGFR (0.47) HTTMAPTLMNASMN1; SMN2EGFR
SCHEMBL24569409 0.91 EGFR (0.47) HTTMAPTLMNASMN1; SMN2EGFR
SCHEMBL24167630 0.87 MAPT (0.51) HTTMAPTLMNASMN1; SMN2EGFR
SCHEMBL26008684 0.87 EGFR (0.44) HTTMAPTLMNASMN1; SMN2EGFR
SCHEMBL25432467 0.86 EGFR (0.45) HTTMAPTLMNASMN1; SMN2EGFR
SCHEMBL25432434 0.86 EGFR (0.45) HTTMAPTLMNASMN1; SMN2EGFR

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