SCHEMBL30964508

SCHEMBL30964508

Oc1ccc(-c2ccc3ncnc(N4CCc5ccc(Cl)cc54)c3c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.44
CYP3A4 P08684 8/20 0.40
CYP1A2 P05177 7/20 0.40
CLK4 Q9HAZ1 7/20 0.40
ALDH1A1 P00352 5/20 0.40
CYP2D6 P10635 5/20 0.40
LMNA P02545 5/20 0.40
MAPK1 P28482 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CSF1R P07333 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.39
HIF1A Q16665 5/20 0.38
USP2 O75604 4/20 0.38
CYP2C19 P33261 4/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAP4K4 O95819 2/20 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
SCHEMBL30964359 0.91 EGFR (0.45) EGFRCYP3A4CYP1A2CLK4ALDH1A1
SCHEMBL30964408 0.88 EGFR (0.43) EGFRCYP3A4CYP1A2CLK4ALDH1A1
SCHEMBL30964485 0.86 IRAK4 (0.44) EGFRCYP3A4CYP1A2CLK4ALDH1A1
SCHEMBL4352943 0.85 EGFR (0.48) EGFRCYP3A4CYP1A2CLK4ALDH1A1
SCHEMBL30964385 0.82 EGFR (0.39) EGFRCYP3A4CYP1A2CLK4ALDH1A1
SCHEMBL30964500 0.82 EGFR (0.51) EGFRCYP3A4CYP1A2CLK4ALDH1A1
SCHEMBL30964394 0.82 EGFR (0.40) EGFRCYP3A4CYP1A2CLK4ALDH1A1
SCHEMBL30964454 0.82 AKT1 (0.42) EGFRCYP3A4CYP1A2CLK4LMNA
SCHEMBL30964351 0.82 EGFR (0.41) EGFRCYP3A4CYP1A2CLK4ALDH1A1
SCHEMBL30964368 0.81 EGFR (0.39) EGFRCYP3A4CYP1A2CLK4ALDH1A1

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-4605089-A1 COMPOUNDS USEFUL IN MODULATING EGFR AND PI3K Mekanistic Therapeutics LLC (US) 2025-08-27 EP disclosed
WO-2024086296-A1 COMPOUNDS USEFUL IN MODULATING EGFR AND PI3K MEKANISTIC THERAPEUTICS LLC (US) 2024-04-25 WO disclosed