SCHEMBL30852973

SCHEMBL30852973

COc1cn2nc(-c3nc(Br)ccc3F)cc2nc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR2A P27037 2/20 0.38
▸ TGFBR2 P37173 2/20 0.38
▸ HPGD P15428 4/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ MAPT P10636 3/20 0.33
▸ USP2 O75604 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TP53 P04637 1/20 0.32

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
SCHEMBL30852941 0.81 ACVR2A (0.41) ACVR2ATGFBR2HPGDKDM4EALDH1A1
SCHEMBL30852920 0.81 ACVR2A (0.37) ACVR2ATGFBR2HPGDKDM4EALDH1A1
SCHEMBL30852903 0.77 ACVR2A (0.37) ACVR2ATGFBR2HPGDKDM4EALDH1A1
SCHEMBL30852911 0.77 ACVR2A (0.53) ACVR2ATGFBR2ALDH1A1MAPTMAPK1
SCHEMBL30852885 0.72 ACVR2A (0.41) ACVR2ATGFBR2HPGDKDM4EALDH1A1
SCHEMBL30698334 0.71 KDM4E (0.32) KDM4EALDH1A1MAPTNPC1LMNA
SCHEMBL30632316 0.68 JUND (0.34) ACVR2ATGFBR2HPGDKDM4EALDH1A1
SCHEMBL30852951 0.66 ACVR2A (0.51) ACVR2ATGFBR2ALDH1A1MAPTMAPK1
SCHEMBL31639341 0.62 PDE10A (0.34) ACVR2ATGFBR2HPGDKDM4EALDH1A1
SCHEMBL30852882 0.62 ACVR2A (0.51) ACVR2ATGFBR2ALDH1A1MAPTMAPK1

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-4598539-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2025-08-13 — — EP disclosed
WO-2024076614-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2024-04-11 — — WO disclosed
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