SCHEMBL31000149

SCHEMBL31000149

COc1cc2ncc(-c3ccnc(N[C@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]4F)n3)n2nc1C1CCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 5/20 0.39
▸ CCNT1 O60563 3/20 0.37
▸ CDK9 P50750 3/20 0.37
▸ IGF1R P08069 1/20 0.36
▸ GPR119 Q8TDV5 2/20 0.36
▸ MALT1 Q9UDY8 1/20 0.35
▸ DNMT3A Q9Y6K1 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ JUN P05412 1/20 0.34
▸ CDK2 P24941 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
SCHEMBL31000196 0.88 CFTR (0.39) CFTRCCNT1CDK9IGF1RDNMT3A
SCHEMBL31000115 0.88 CFTR (0.40) CFTRCCNT1CDK9IGF1RDNMT3A
SCHEMBL31000195 0.87 CFTR (0.36) CFTRCCNT1CDK9IGF1RGPR119
SCHEMBL31000106 0.87 CFTR (0.37) CFTRCCNT1CDK9IGF1RDNMT3A
SCHEMBL31000243 0.85 CFTR (0.39) CFTRCCNT1CDK9IGF1RPDE4B
SCHEMBL30698310 0.84 ALK (0.35) CFTRCCNT1CDK9GPR119MALT1
SCHEMBL31000138 0.84 PDE4D (0.37) CFTRCCNT1CDK9KDM4EMEN1
SCHEMBL31000143 0.81 FLT3 (0.41) CCNT1CDK9CDK2MAPK8MAPK9
SCHEMBL30248495 0.80 IGF1R (0.38) CFTRCCNT1CDK9IGF1RDNMT3A
SCHEMBL31000268 0.80 USP30 (0.37) CFTRCCNT1CDK9GPR119PDE4B

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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