SCHEMBL31000185

SCHEMBL31000185

COc1cc2nc(I)cn2nc1C1COC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACVR2A P27037 1/20 0.32
▸ TGFBR2 P37173 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.31
▸ SHBG P04278 2/20 0.30

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
SCHEMBL31000193 0.77 CHRM5 (0.34) ACVR2ATGFBR2LRRK2SHBG
SCHEMBL31000263 0.75 FYN (0.32) ACVR2ATGFBR2LRRK2
SCHEMBL31639341 0.73 PDE10A (0.34) ACVR2ATGFBR2LRRK2
SCHEMBL31639231 0.70 HPGD (0.34) ACVR2ATGFBR2LRRK2
SCHEMBL31639301 0.69 KDM4E (0.34) —
SCHEMBL31639289 0.68 KDM4E (0.36) —
SCHEMBL31639434 0.66 KDM4E (0.32) —
SCHEMBL30632316 0.64 JUND (0.34) ACVR2ATGFBR2
SCHEMBL31000135 0.63 TRPC6 (0.41) SHBG
SCHEMBL30698321 0.63 ALDH1A1 (0.33) SHBG

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-4658659-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2025-12-10 — — EP disclosed
WO-2024163764-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2024-08-08 — — WO disclosed
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