SCHEMBL30930014

SCHEMBL30930014

OC[C@@H](Nc1nc(Cl)ncc1C(F)F)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.44
▸ CCNC P24863 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ AURKA O14965 2/20 0.40
▸ RPS6KB1 P23443 2/20 0.40
▸ USP1 O94782 1/20 0.38
▸ WDR48 Q8TAF3 1/20 0.38

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
SCHEMBL29217228 1.00 EGFR (0.44) EGFRCCNCCDK8LMNAHPGD
SCHEMBL29217219 1.00 EGFR (0.44) EGFRCCNCCDK8LMNAHPGD
SCHEMBL30930018 1.00 EGFR (0.44) EGFRCCNCCDK8LMNAHPGD
SCHEMBL14670658 0.85 EGFR (0.45) EGFRCCNCCDK8LMNAHPGD
SCHEMBL14670665 0.85 EGFR (0.45) EGFRCCNCCDK8LMNAHPGD
SCHEMBL14662047 0.85 EGFR (0.46) EGFRCCNCCDK8LMNAHPGD
SCHEMBL14662045 0.85 EGFR (0.46) EGFRCCNCCDK8LMNAHPGD
SCHEMBL14670573 0.85 EGFR (0.46) EGFRCCNCCDK8LMNAHPGD
SCHEMBL13649008 0.83 NTRK1 (0.47) EGFRCCNCCDK8LMNAHPGD
SCHEMBL14670585 0.83 USP1 (0.51) EGFRCCNCCDK8LMNAHPGD

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-118084892-A Compounds useful as HPK1 inhibitors 深圳福沃药业有限公司 2024-05-28 — — CN disclosed
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