SCHEMBL31000195

SCHEMBL31000195

[2H]C([2H])([2H])Oc1cc2ncc(-c3ccnc(N[C@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]4F)n3)n2nc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 4/20 0.36
▸ DYRK2 Q92630 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ JUN P05412 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ CCNT1 O60563 2/20 0.35
▸ CDK9 P50750 2/20 0.35
▸ CDK4 P11802 1/20 0.34

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
SCHEMBL31000138 0.90 PDE4D (0.37) CFTRKDM4EMEN1ALDH1A1HPGD
SCHEMBL31000196 0.89 CFTR (0.39) CFTRKDM4EMEN1ALDH1A1HPGD
SCHEMBL31000106 0.87 CFTR (0.37) CFTRCDK2JUNMAPK8MAPK9
SCHEMBL31000149 0.87 CFTR (0.39) CFTRKDM4EMEN1ALDH1A1HPGD
SCHEMBL31000115 0.86 CFTR (0.40) CFTRCDK2JUNMAPK8MAPK9
SCHEMBL31000268 0.86 USP30 (0.37) CFTRDYRK2KDM4EMEN1ALDH1A1
SCHEMBL31000243 0.84 CFTR (0.39) CFTRCDK2CCNT1CDK9IGF1R
SCHEMBL31639084 0.83 CDK4 (0.36) CFTRKDM4EMEN1ALDH1A1HPGD
SCHEMBL31000072 0.82 CDK4 (0.45) CFTRDYRK2KDM4EMEN1ALDH1A1
SCHEMBL31000099 0.81 IRAK4 (0.38) CDK2JUNMAPK8MAPK9MAPK10

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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