SCHEMBL30006942

SCHEMBL30006942

Clc1nc(Cl)c2cc(Br)ncc2n1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL24342283 1.00 HTT (0.36) HTTKDM4EALDH1A1SMN1; SMN2
SCHEMBL27158722 0.85 HTT (0.36) HTTKDM4EALDH1A1SMN1; SMN2
SCHEMBL21686844 0.80 GABRP (0.34) HTTKDM4EALDH1A1SMN1; SMN2
SCHEMBL29870732 0.80 GABRP (0.34) HTTKDM4EALDH1A1SMN1; SMN2
SCHEMBL27094078 0.78 NT5E (0.33) HTTALDH1A1
SCHEMBL30754562 0.78 NT5E (0.33) HTTALDH1A1
SCHEMBL27093842 0.78 — —
SCHEMBL30754563 0.78 — —
SCHEMBL31332420 0.77 CYP1A2 (0.35) KDM4EALDH1A1SMN1; SMN2
SCHEMBL21687035 0.77 CYP1A2 (0.35) KDM4EALDH1A1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4322962-A1 PHOSPHORUS DERIVATIVES AS NOVEL SOS1 INHIBITORS Bayer Aktiengesellschaft (DE) 2024-02-21 — — EP disclosed
CN-117500507-A Phosphorus derivatives as novel SOS1 inhibitors 拜耳公司 2024-02-02 — — CN disclosed
WO-2022219035-A1 PHOSPHORUS DERIVATIVES AS NOVEL SOS1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2022-10-20 — — WO disclosed
Send feedback