SCHEMBL31000196

SCHEMBL31000196

COc1cc2ncc(-c3ccnc(N[C@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]4F)n3)n2nc1C1CC(F)(F)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 5/20 0.39
▸ TBK1 Q9UHD2 1/20 0.37
▸ CCNT1 O60563 3/20 0.36
▸ CDK9 P50750 3/20 0.36
▸ IDH1 O75874 1/20 0.36
▸ IGF1R P08069 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
▸ DNMT3A Q9Y6K1 1/20 0.35
▸ PDE4B Q07343 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ 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

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
SCHEMBL31000106 0.93 CFTR (0.37) CFTRCCNT1CDK9IDH1IGF1R
SCHEMBL31000195 0.89 CFTR (0.36) CFTRCCNT1CDK9IGF1RCDK4
SCHEMBL31000149 0.88 CFTR (0.39) CFTRCCNT1CDK9IGF1RDNMT3A
SCHEMBL31000174 0.88 CDK4 (0.44) CFTRTBK1CCNT1CDK9IDH1
SCHEMBL31000115 0.88 CFTR (0.40) CFTRCCNT1CDK9IGF1RCDK4
SCHEMBL31000138 0.86 PDE4D (0.37) CFTRCCNT1CDK9CDK4CCND1
SCHEMBL31000243 0.85 CFTR (0.39) CFTRCCNT1CDK9IGF1RPDE4B
SCHEMBL31000194 0.82 CFTR (0.38) CFTRCCNT1CDK9IGF1RALK
SCHEMBL31000268 0.82 USP30 (0.37) CFTRCCNT1CDK9PDE4BSYK
SCHEMBL31000184 0.82 FLT3 (0.39) CCNT1CDK9IGF1RJUNCDK2

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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