SCHEMBL30930020

SCHEMBL30930020

OC[C@@H](Nc1nc(Cl)ncc1Br)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.47
▸ EGFR P00533 10/20 0.47
▸ IDO1 P14902 1/20 0.42
▸ TDO2 P48775 1/20 0.42
▸ CCNC P24863 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ AURKA O14965 2/20 0.40
▸ RPS6KB1 P23443 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL13649008 1.00 NTRK1 (0.47) NTRK1EGFRIDO1TDO2CCNC
SCHEMBL13649055 0.90 EGFR (0.44) NTRK1EGFRCDK8RPS6KB1MEN1
SCHEMBL14662047 0.86 EGFR (0.46) NTRK1EGFRCCNCCDK8LMNA
SCHEMBL14662045 0.86 EGFR (0.46) NTRK1EGFRCCNCCDK8LMNA
SCHEMBL14670573 0.86 EGFR (0.46) NTRK1EGFRCCNCCDK8LMNA
SCHEMBL14670665 0.84 EGFR (0.45) NTRK1EGFRCCNCCDK8LMNA
SCHEMBL14670658 0.84 EGFR (0.45) NTRK1EGFRCCNCCDK8LMNA
SCHEMBL14670585 0.84 USP1 (0.51) EGFRCCNCCDK8LMNAHPGD
SCHEMBL30930030 0.84 USP1 (0.51) EGFRCCNCCDK8LMNAHPGD
SCHEMBL14670663 0.84 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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