SCHEMBL31469253

SCHEMBL31469253

CCOc1cc2ncnc(-c3n[nH]nc3-c3ccccc3)c2cc1NC(=O)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
EGFR P00533 9/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RECQL P46063 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.42
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
CAMKK1 Q8N5S9 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
ERBB4 Q15303 3/20 0.41
STK4 Q13043 1/20 0.40
ERBB2 P04626 1/20 0.40

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
SCHEMBL26585005 0.83 MAPT (0.52) MAPTEGFRSMN1; SMN2RECQLKDM4E
SCHEMBL31469220 0.81 MAPT (0.45) MAPTEGFRSMN1; SMN2RECQLKDM4E
SCHEMBL38651210 0.78 CAMKK1 (0.39) EGFRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL26111167 0.76 EGFR (0.43) EGFRKDM4EALDH1A1GAAERBB4
SCHEMBL26113555 0.74 EGFR (0.48) MAPTEGFRKDM4EALDH1A1GAA
SCHEMBL31469333 0.74 EGFR (0.43) EGFRKDM4EALDH1A1GAAERBB4
SCHEMBL31469351 0.74 GSK3B (0.46) EGFRKDM4EALDH1A1GAAERBB4
SCHEMBL26110822 0.72 EGFR (0.62) EGFRERBB4ERBB2
SCHEMBL26113885 0.71 CSNK1D (0.41) MAPTEGFR
SCHEMBL26111424 0.69 CSNK1D (0.43) MAPTEGFRALDH1A1

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