SCHEMBL28614583

SCHEMBL28614583

COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(Nc2ccc3nccnc3c2P(C)(C)=O)n1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.43
MAP4K1 Q92918 1/20 0.42

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
SCHEMBL31029505 0.86 EGFR (0.39) EGFRMAP4K1
SCHEMBL23461800 0.86 EGFR (0.39) EGFRMAP4K1
SCHEMBL30948590 0.86 EGFR (0.59) EGFRMAP4K1
SCHEMBL28650746 0.86 EGFR (0.59) EGFRMAP4K1
SCHEMBL28921815 0.86 EGFR (0.59) EGFR
SCHEMBL30948593 0.86 EGFR (0.59) EGFR
SCHEMBL28663733 0.82 MAP4K1 (0.58) EGFRMAP4K1
SCHEMBL30948608 0.76 EGFR (0.50) EGFRMAP4K1
SCHEMBL19254474 0.75 EGFR (0.42) EGFRMAP4K1
SCHEMBL23460360 0.75 EGFR (0.52) EGFR

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-113179640-B Nitrogen-containing polycyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-06-25 CN disclosed
CN-113179640-A Nitrogen-containing polycyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2021-07-27 CN disclosed