SCHEMBL31000138

SCHEMBL31000138

CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](Nc2nccc(-c3cnc4cc(OCC(F)F)c(C5CC5)nn34)n2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.37
▸ CDK2 P24941 2/20 0.36
▸ JUN P05412 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CCND3 P30281 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL31000195 0.90 CFTR (0.36) PDE4DCDK2JUNMAPK8MAPK9
SCHEMBL31000136 0.87 PREP (0.34) PDE4DCDK4CCND1CCND3CDK6
SCHEMBL31000268 0.87 USP30 (0.37) PDE4DCDK2JUNMAPK8MAPK9
SCHEMBL31000196 0.86 CFTR (0.39) CDK2JUNMAPK8MAPK9MAPK10
SCHEMBL31000106 0.84 CFTR (0.37) CDK2JUNMAPK8MAPK9MAPK10
SCHEMBL31000115 0.84 CFTR (0.40) PDE4DCDK2JUNMAPK8MAPK9
SCHEMBL31000149 0.84 CFTR (0.39) CDK2JUNMAPK8MAPK9MAPK10
SCHEMBL31000204 0.81 MAPK8 (0.38) PDE4DCDK2JUNMAPK8MAPK9
SCHEMBL31000243 0.81 CFTR (0.39) CDK2CFTRIRAK4CCNT1CDK9
SCHEMBL31000072 0.79 CDK4 (0.45) CDK2CDK4CCND1CCND3CDK6

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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