SCHEMBL30932003

SCHEMBL30932003

N#Cc1cnn2cc(-c3cnn(CCCO)c3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.41
▸ CREBBP Q92793 1/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ RET P07949 12/20 0.37
▸ USP30 Q70CQ3 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ ATR Q13535 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
SCHEMBL31590468 0.93 KIT (0.48) KITCREBBPJAK2JAK1TYK2
SCHEMBL31580378 0.88 CREBBP (0.40) KITCREBBPJAK2JAK1TYK2
SCHEMBL30931972 0.85 CREBBP (0.41) KITCREBBPJAK2JAK1TYK2
SCHEMBL31589834 0.85 CREBBP (0.41) KITCREBBPRETUSP30
SCHEMBL31589890 0.85 CREBBP (0.44) CREBBPRETUSP30PIK3CA
SCHEMBL30932027 0.85 RET (0.46) CREBBPJAK2RETUSP30
SCHEMBL31590410 0.85 CREBBP (0.40) CREBBPRETUSP30
SCHEMBL30931984 0.82 CREBBP (0.43) CREBBPRETUSP30PIK3CA
SCHEMBL30932039 0.82 RET (0.44) CREBBPRETUSP30
SCHEMBL31589666 0.81 JAK2 (0.41) CREBBPJAK2JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120051471-A Novel heterocyclic compound 首药控股(北京)股份有限公司 2025-05-27 — — CN disclosed
WO-2024083111-A1 NOVEL HETEROCYCLIC COMPOUNDS 首药控股(北京)股份有限公司 2024-04-25 — — WO disclosed
Send feedback