SCHEMBL30963348

SCHEMBL30963348

COC(=O)N1C[C@@H](n2nc(I)c3c(NCc4ccc(OC)cc4OC)nccc32)C[C@@H]1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.39
▸ MAPT P10636 2/20 0.36
▸ CYP1A2 P05177 9/20 0.36
▸ CYP3A4 P08684 9/20 0.36
▸ CYP2C19 P33261 9/20 0.36
▸ CYP2D6 P10635 7/20 0.36
▸ CLK4 Q9HAZ1 4/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ TSHR P16473 8/20 0.36
▸ ALDH1A1 P00352 7/20 0.36
▸ USP2 O75604 4/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ BTK Q06187 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL24651144 0.83 NPC1 (0.43) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL21903703 0.82 CYP1A2 (0.38) KDM4CMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL30497632 0.81 KMT2A (0.42) KDM4CMAPTTSHRALDH1A1MAPK1
SCHEMBL25230106 0.81 KMT2A (0.42) KDM4CMAPTTSHRALDH1A1MAPK1
SCHEMBL30497641 0.80 KDM4C (0.38) KDM4CMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL22902838 0.80 CYP1A2 (0.38) KDM4CMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL25270502 0.80 KDM4C (0.38) KDM4CMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL25228606 0.78 KMT2A (0.40) KDM4CMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL31125791 0.78 BTK (0.41) MAPTTSHRMAPK1BTKSMN1; SMN2
SCHEMBL30449840 0.78 KMT2A (0.40) KDM4CMAPTCYP1A2CYP3A4CYP2C19

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
EP-4634184-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING KINASES VIA UBIQUITIN PROTEOSOME PATHWAY Crossfire Oncology Holding B.V. (NL) 2025-10-22 — — EP disclosed
WO-2024126617-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING KINASES VIA UBIQUITIN PROTEOSOME PATHWAY CROSSFIRE ONCOLOGY HOLDING B.V. (NL) 2024-06-20 — — WO disclosed
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