SCHEMBL30078199

SCHEMBL30078199

Cc1ccc(N)cc1Oc1ccc2ncn(C)c(=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 5/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ P2RX3 P56373 1/20 0.43
▸ TNF P01375 1/20 0.43
▸ IP6K1 Q92551 1/20 0.43
▸ DRD2 P14416 2/20 0.41
▸ ACVR1 Q04771 2/20 0.40
▸ TGFBR1 P36897 1/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL4209022 1.00 BRAF (0.45) BRAFL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL3880219 0.85 L3MBTL1 (0.50) BRAFL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL4252815 0.80 L3MBTL1 (0.59) BRAFL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL24316794 0.79 L3MBTL1 (0.44) BRAFL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL30078246 0.78 MAP4K4 (0.44) L3MBTL1ALDH1A1HPGDTNF
SCHEMBL24885790 0.78 MAP4K4 (0.44) L3MBTL1ALDH1A1HPGDTNF
SCHEMBL24885527 0.76 BRAF (0.53) BRAFL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL30078061 0.76 BRAF (0.53) BRAFL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL9922441 0.75 KDM4E (0.58) BRAFL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL30648059 0.75 KDM4E (0.58) BRAFL3MBTL1KDM4EALDH1A1HPGD

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-2023283369-A1 MODULATORS OF PROTEIN KINASES VIBLIOME THERAPEUTICS, LLC (US) 2023-01-12 — — WO disclosed
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