SCHEMBL30848835

SCHEMBL30848835

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.50
▸ CCNC P24863 4/20 0.36
▸ CDK8 P49336 4/20 0.36
▸ NOTUM Q6P988 1/20 0.34
▸ SOS1 Q07889 1/20 0.34
▸ POLB P06746 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ BCL6 P41182 1/20 0.31

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
SCHEMBL24826464 1.00 EGFR (0.50) EGFRCCNCCDK8NOTUMSOS1
SCHEMBL24824609 0.88 EGFR (0.40) EGFRNOTUMPOLBTDP1L3MBTL1
SCHEMBL30848800 0.88 EGFR (0.40) EGFRNOTUMPOLBTDP1L3MBTL1
SCHEMBL30848793 0.85 EGFR (0.39) EGFRPOLBBCL6
SCHEMBL24827270 0.85 EGFR (0.39) EGFRPOLBBCL6
SCHEMBL24826754 0.85 EGFR (0.40) EGFR
SCHEMBL30164940 0.85 EGFR (0.40) EGFR
SCHEMBL24825129 0.85 EGFR (0.51) EGFRNOTUM
SCHEMBL30848806 0.85 EGFR (0.51) EGFRNOTUM
SCHEMBL24826745 0.83 EGFR (0.46) EGFRSOS1

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 1 patent. 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
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