SCHEMBL29654317

SCHEMBL29654317

N#Cc1c(Cl)nc2c(F)c(Cl)ncc2c1C1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 3/20 0.35
▸ TLR8 Q9NR97 3/20 0.35
▸ TLR7 Q9NYK1 3/20 0.35
▸ NRP1 O14786 1/20 0.31
▸ IKBKB O14920 3/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 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
SCHEMBL24424957 0.75 MEN1 (0.31) —
SCHEMBL30260039 0.75 MEN1 (0.31) —
SCHEMBL30260098 0.72 KRAS (0.38) —
SCHEMBL24778050 0.70 L3MBTL1 (0.33) —
SCHEMBL24424954 0.66 KDM4E (0.33) —
SCHEMBL25165297 0.66 — —
SCHEMBL1624062 0.65 IKBKB (0.46) TLR9TLR8TLR7IKBKB
SCHEMBL19716496 0.64 NSD2 (0.44) —
SCHEMBL19924521 0.64 ALDH1A1 (0.45) IKBKB
SCHEMBL29654166 0.64 KRAS (0.33) —

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
WO-2022095960-A1 KRAS INHIBITORS FOR TREATMENT OF CANCERS 泰励生物科技(上海)有限公司 2022-05-12 — — WO disclosed
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