SCHEMBL31000106

SCHEMBL31000106

COc1cc2ncc(-c3ccnc(N[C@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]4F)n3)n2nc1C1CC2(CCC2)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 5/20 0.37
▸ CCNT1 O60563 3/20 0.37
▸ CDK9 P50750 3/20 0.37
▸ IGF1R P08069 1/20 0.36
▸ EIF2AK4 Q9P2K8 2/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ JUN P05412 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ CCNK O75909 1/20 0.34
▸ CDK12 Q9NYV4 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ DNMT3A Q9Y6K1 1/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ SYK P43405 1/20 0.33
▸ IDH1 O75874 1/20 0.33

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 0.93 CFTR (0.39) CFTRCCNT1CDK9IGF1RPDE4B
SCHEMBL31000195 0.87 CFTR (0.36) CFTRCCNT1CDK9IGF1RJUN
SCHEMBL31000149 0.87 CFTR (0.39) CFTRCCNT1CDK9IGF1RPDE4B
SCHEMBL31000115 0.86 CFTR (0.40) CFTRCCNT1CDK9IGF1RPDE4B
SCHEMBL31000138 0.84 PDE4D (0.37) CFTRCCNT1CDK9JUNCDK2
SCHEMBL31000243 0.84 CFTR (0.39) CFTRCCNT1CDK9IGF1RPDE4B
SCHEMBL31000202 0.82 FLT3 (0.38) CCNT1CDK9IGF1RJUNCDK2
SCHEMBL31000174 0.81 CDK4 (0.44) CFTRCCNT1CDK9IGF1RCDK2
SCHEMBL31000268 0.80 USP30 (0.37) CFTRCCNT1CDK9EIF2AK4PDE4B
SCHEMBL31000072 0.80 CDK4 (0.45) CFTRCCNT1CDK9IGF1RPDE4B

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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