SCHEMBL29794510

SCHEMBL29794510

O=C1C(=Cc2ccccn2)CNCC1=Cc1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 7/20 1.00
▸ MAPK1 P28482 6/20 1.00
▸ RAF1 P04049 4/20 1.00
▸ RPS6KB1 P23443 4/20 1.00
▸ AKT1 P31749 4/20 1.00
▸ AKT2 P31751 4/20 1.00
▸ KDR P35968 4/20 1.00
▸ PRKAG1 P54619 4/20 1.00
▸ MAP2K1 Q02750 4/20 1.00
▸ PRKAA1 Q13131 4/20 1.00
▸ NEK1 Q96PY6 4/20 1.00
▸ PRKAB1 Q9Y478 4/20 1.00
▸ MAPKAPK2 P49137 3/20 1.00
▸ MAPK14 Q16539 2/20 1.00
▸ PRDX1 Q06830 1/20 1.00
▸ NPC1 O15118 5/20 0.64
▸ RAB9A P51151 5/20 0.64
▸ MAPT P10636 4/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ MEN1 O00255 4/20 0.64

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
SCHEMBL8106620 1.00 IKBKB (1.00) IKBKBMAPK1RAF1RPS6KB1AKT1
SCHEMBL21460535 1.00 IKBKB (1.00) IKBKBMAPK1RAF1RPS6KB1AKT1
SCHEMBL21460534 1.00 IKBKB (1.00) IKBKBMAPK1RAF1RPS6KB1AKT1
SCHEMBL12948680 0.82 MAPK1 (0.70) IKBKBMAPK1RAF1RPS6KB1AKT1
SCHEMBL31070046 0.81 MAPK1 (1.00) IKBKBMAPK1RAF1RPS6KB1AKT1
SCHEMBL10062873 0.81 MAPK1 (1.00) IKBKBMAPK1RAF1RPS6KB1AKT1
SCHEMBL17899536 0.81 IKBKB (0.68) IKBKBMAPK1RAF1RPS6KB1AKT1
SCHEMBL28214806 0.79 MAPK1 (0.66) IKBKBMAPK1RAF1RPS6KB1AKT1
SCHEMBL3006214 0.79 MAPK1 (0.64) IKBKBMAPK1RAF1RPS6KB1AKT1
SCHEMBL17899485 0.78 MAPT (1.00) IKBKBMAPK1RAF1RPS6KB1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240398799-A1 COMPOSITIONS AND METHODS FOR GENERATING SYNTHETIC LETHALITY IN TUMORS ENGINE BIOSCIENCES PTE. LTD. (SG) 2024-12-05 — — US disclosed
EP-4388137-A1 COMPOSITIONS AND METHODS FOR GENERATING SYNTHETIC LETHALITY IN TUMORS Engine Biosciences Pte. Ltd. (SG) 2024-06-26 — — EP disclosed
US-20230078425-A1 COMPOSITIONS AND METHODS FOR GENERATING SYNTHETIC LETHALITY IN TUMORS ENGINE BIOSCIENCES PTE. LTD. (SG) 2023-03-16 — — US disclosed
WO-2023022659-A1 COMPOSITIONS AND METHODS FOR GENERATING SYNTHETIC LETHALITY IN TUMORS ENGINE BIOSCIENCES PTE. LTD. (SG) 2023-02-23 — — WO disclosed
CN-114787359-A Method for producing peptide containing unnatural amino acid 中外制药株式会社 2022-07-22 — — CN disclosed
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