SCHEMBL29887887

SCHEMBL29887887

Cc1cc(Nc2ncnc3ccc(I)cc23)ccc1Cc1ccn2ncnc2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.47
ERBB2 P04626 7/20 0.47
NQO2 P16083 1/20 0.47
FECH P22830 1/20 0.47
MYH14 Q7Z406 1/20 0.47
RIPK3 Q9Y572 1/20 0.47
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FBP1 P09467 1/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
ERBB4 Q15303 1/20 0.37

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
SCHEMBL24569409 1.00 EGFR (0.47) EGFRERBB2NQO2FECHMYH14
SCHEMBL29888075 1.00 EGFR (0.47) EGFRERBB2NQO2FECHMYH14
SCHEMBL24569870 0.91 HTT (0.55) EGFRERBB2NQO2FECHMYH14
SCHEMBL29888850 0.90 EGFR (0.49) EGFRERBB2NQO2FECHMYH14
SCHEMBL24569385 0.90 EGFR (0.49) EGFRERBB2NQO2FECHMYH14
SCHEMBL24167890 0.90 EGFR (0.48) EGFRERBB2NQO2FECHMYH14
SCHEMBL24167630 0.85 MAPT (0.51) EGFRERBB2NQO2FECHMYH14
SCHEMBL26008684 0.85 EGFR (0.44) EGFRERBB2NQO2FECHMYH14
SCHEMBL25432434 0.85 EGFR (0.45) EGFRERBB2NQO2FECHMYH14
SCHEMBL25432467 0.85 EGFR (0.45) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4476211-A1 ACYLATED HETEROCYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 Enliven Inc. (US) 2024-12-18 EP disclosed
EP-4267137-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 Enliven Inc. (US) 2023-11-01 EP disclosed
WO-2023154124-A1 ACYLATED HETEROCYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed
WO-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed