SCHEMBL29762410

SCHEMBL29762410

O=C1C[C@@H](O)CN1c1cc(Cl)cc(N2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 2/20 0.47
▸ BRAF P15056 2/20 0.47
▸ MAPT P10636 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ PIK3CB P42338 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ PIK3CD O00329 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ PIK3CA P42336 3/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ PIK3CG P48736 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
SCHEMBL23274738 1.00 RAF1 (0.47) RAF1BRAFMAPTCYP1A2CYP2D6
SCHEMBL29762392 0.88 CYP1A2 (0.42) RAF1BRAFMAPTCYP1A2CYP2D6
SCHEMBL23274811 0.88 CYP1A2 (0.42) RAF1BRAFMAPTCYP1A2CYP2D6
SCHEMBL23274711 0.82 TP53 (0.42) RAF1BRAFMAPTCYP1A2CYP2D6
SCHEMBL23274715 0.82 TP53 (0.42) RAF1BRAFMAPTCYP1A2CYP2D6
SCHEMBL28830338 0.81 MAPT (0.41) RAF1BRAFMAPTCYP1A2CYP2D6
SCHEMBL29762401 0.80 RAF1 (0.46) RAF1BRAFMAPTCYP1A2CYP2D6
SCHEMBL23274606 0.80 RAF1 (0.46) RAF1BRAFMAPTCYP1A2CYP2D6
SCHEMBL23854535 0.79 CYP1A2 (0.39) RAF1BRAFMAPTCYP1A2CYP2D6
SCHEMBL17204101 0.78 MAPT (0.61) MAPTCYP1A2CYP2D6KMT2AMEN1

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
CN-114845711-B Inhibitors of RAF kinase 皮埃尔法布雷医药公司 2024-10-01 — — CN disclosed
EP-4048259-A1 INHIBITORS OF RAF KINASES Kinnate Biopharma Inc. (US) 2022-08-31 — — EP disclosed
CN-114845711-A Inhibitors of RAF kinase 金耐特生物制药公司 2022-08-02 — — CN disclosed
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