SCHEMBL31639286

SCHEMBL31639286

COc1cc2ncc(-c3nc(N[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c(C(=O)O)cc3F)n2nc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ PIK3CD O00329 2/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ RIPK1 Q13546 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PIM1 P11309 2/20 0.37
▸ PIM2 Q9P1W9 2/20 0.37
▸ NSD2 O96028 1/20 0.37
▸ USP30 Q70CQ3 2/20 0.36
▸ BTK Q06187 1/20 0.36

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
SCHEMBL31639188 0.93 SCN9A (0.39) KMT2AMEN1PIK3CDSCN9APIK3CA
SCHEMBL30698291 0.93 PIK3CD (0.40) KMT2APIK3CDSCN9APIM1PIM2
SCHEMBL31639374 0.89 PIK3CD (0.43) KMT2APIK3CDSCN9APIK3CANSD2
SCHEMBL30698318 0.88 PIK3CD (0.40) KMT2APIK3CDSCN9APIK3CARIPK1
SCHEMBL31639332 0.82 EGFR (0.38) KMT2APIK3CDSCN9APIM1PIM2
SCHEMBL31639111 0.82 NRAS (0.38) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL30698325 0.81 NRAS (0.37) KMT2APIK3CDSCN9APIM1PIM2
SCHEMBL31639179 0.80 PIK3CD (0.42) PIK3CDSCN9APIM1PIM2NSD2
SCHEMBL30698306 0.79 PIK3CD (0.37) PIK3CDSCN9APIK3CAPIM1PIM2
SCHEMBL31639300 0.79 CFTR (0.40) KMT2AKDM4EMEN1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025137567-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2025-06-26 — — WO disclosed
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