SCHEMBL31469368

SCHEMBL31469368

CC1(C)OB(c2cnccc2-c2ccccc2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 2/20 0.47
▸ LIPG Q9Y5X9 2/20 0.47
▸ CYP1A2 P05177 7/20 0.39
▸ CYP2E1 P05181 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2C8 P10632 3/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ CYP2A6 P11509 3/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ CYP2B6 P20813 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ TNF P01375 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RPS6KA3 P51812 2/20 0.37
▸ PDGFRB P09619 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ CYP17A1 P05093 5/20 0.35
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35

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
SCHEMBL1688458 0.88 LPL (0.47) LPLLIPGCYP1A2CYP2E1CYP3A4
SCHEMBL29254217 0.80 HASPIN (0.45) LPLLIPGTNFPDGFRBKDR
SCHEMBL30800731 0.80 HASPIN (0.45) LPLLIPGTNFPDGFRBKDR
SCHEMBL12390740 0.80 LIPG (0.56) LPLLIPGCYP2A6PDGFRBKDR
SCHEMBL31106 0.78 LIPG (0.59) LPLLIPGCYP2A6PDGFRBKDR
SCHEMBL26626379 0.78 HSP90AA1 (0.35) LPLLIPGCYP1A2CYP2D6CYP2C19
SCHEMBL30601336 0.78 HSP90AA1 (0.35) LPLLIPGCYP1A2CYP2D6CYP2C19
SCHEMBL18015456 0.77 LPL (0.46) LPLLIPGMAPTPDGFRBKDR
SCHEMBL25799128 0.77 LIPG (0.62) LPLLIPGCYP2A6PDGFRBKDR
SCHEMBL12999308 0.76 LIPG (0.56) LPLLIPGPDGFRBKDRDGAT1

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-2025080784-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2025-04-17 — — WO disclosed
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