SCHEMBL30852911

SCHEMBL30852911

COc1cn2ncc(-c3nc(Br)ccc3F)c2nc1C1CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACVR2A P27037 17/20 0.53
▸ TGFBR2 P37173 15/20 0.53
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TGFBR1 P36897 2/20 0.38
▸ ACVR1 Q04771 1/20 0.33

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
SCHEMBL30852882 0.85 ACVR2A (0.51) ACVR2ATGFBR2ALDH1A1MAPK1MAPT
SCHEMBL30852951 0.83 ACVR2A (0.51) ACVR2ATGFBR2ALDH1A1MAPK1MAPT
SCHEMBL30852946 0.79 ACVR2A (0.43) ACVR2ATGFBR2ALDH1A1MAPK1MAPT
SCHEMBL30852888 0.77 ACVR2A (0.53) ACVR2ATGFBR2MAPTL3MBTL1TGFBR1
SCHEMBL30852973 0.77 ACVR2A (0.38) ACVR2ATGFBR2ALDH1A1MAPK1MAPT
SCHEMBL30852893 0.76 ACVR2A (0.46) ACVR2ATGFBR2ALDH1A1MAPK1MAPT
SCHEMBL30852929 0.71 ACVR2A (0.59) ACVR2ATGFBR2MAPTTGFBR1
SCHEMBL30852883 0.71 ACVR2A (0.42) ACVR2ATGFBR2
SCHEMBL30852941 0.67 ACVR2A (0.41) ACVR2ATGFBR2ALDH1A1MAPK1MAPT
SCHEMBL30852936 0.65 ACVR2A (0.44) ACVR2ATGFBR2TGFBR1

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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