SCHEMBL24824609

SCHEMBL24824609

CC(C)c1cnc(N2CC(C(=O)O)C2)c2cnc(Cl)cc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.40
▸ POLB P06746 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NOTUM Q6P988 6/20 0.35
▸ ALOX15 P16050 1/20 0.33
▸ S1PR1 P21453 2/20 0.32
▸ S1PR5 Q9H228 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL30848800 1.00 EGFR (0.40) EGFRPOLBTDP1L3MBTL1NOTUM
SCHEMBL24826464 0.88 EGFR (0.50) EGFRPOLBTDP1L3MBTL1NOTUM
SCHEMBL30848835 0.88 EGFR (0.50) EGFRPOLBTDP1L3MBTL1NOTUM
SCHEMBL30848806 0.87 EGFR (0.51) EGFRNOTUM
SCHEMBL24826754 0.87 EGFR (0.40) EGFRKDM4EMEN1KMT2A
SCHEMBL30164940 0.87 EGFR (0.40) EGFRKDM4EMEN1KMT2A
SCHEMBL24825129 0.87 EGFR (0.51) EGFRNOTUM
SCHEMBL24826768 0.86 EGFR (0.36) EGFR
SCHEMBL30164881 0.86 EGFR (0.36) EGFR
SCHEMBL24826745 0.85 EGFR (0.46) EGFRALDH1A1

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-117858872-A Heterocyclic EGFR inhibitors for the treatment of cancer 缆图药品公司 2024-04-09 — — CN disclosed
WO-2022271612-A1 HETEROCYCLIC EGFR INHIBITORS FOR USE IN THE TREATMENT OF CANCER BLUEPRINT MEDICINES CORPORATION (US) 2022-12-29 — — WO disclosed
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