SCHEMBL31469237

SCHEMBL31469237

COc1cc2ncnc(-c3c(Br)cnn3C3CCCCO3)c2cc1NC(=O)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 3/20 0.38
EGFR P00533 3/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ERBB2 P04626 1/20 0.36
AAK1 Q2M2I8 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
STK17B O94768 2/20 0.35
ENPP1 P22413 1/20 0.35
USP2 O75604 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
DAPK3 O43293 1/20 0.35
STK17A Q9UEE5 1/20 0.35
DAPK2 Q9UIK4 1/20 0.35

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
SCHEMBL31469256 0.87 ALDH1A1 (0.44) TSHRALDH1A1EGFRGAAKDM4E
SCHEMBL31469378 0.85 ATR (0.47) TSHRALDH1A1GAA
SCHEMBL26114206 0.70 TSHR (0.53) TSHREGFRKDM4EERBB2CYP3A4
SCHEMBL26110729 0.68 EGFR (0.48) EGFRERBB2
SCHEMBL31469324 0.66 ATR (0.40) RAB9A
SCHEMBL31469333 0.66 EGFR (0.43) ALDH1A1EGFRGAAKDM4EERBB2
SCHEMBL26113555 0.66 EGFR (0.48) ALDH1A1EGFRGAAKDM4EERBB2
SCHEMBL31469351 0.66 GSK3B (0.46) ALDH1A1EGFRGAAKDM4EERBB2
SCHEMBL31469356 0.66 MAPT (0.44) EGFRKDM4EKMT2AMEN1ERBB2
SCHEMBL21248316 0.64 ALDH1A1 (0.40) ALDH1A1LMNARAB9A

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
CN-122029158-A EGFR inhibitors 缆图药品公司 2026-05-12 CN disclosed
WO-2025080784-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2025-04-17 WO disclosed