SCHEMBL31000115

SCHEMBL31000115

COc1cc2ncc(-c3ccnc(N[C@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]4F)n3)n2nc1C(C)(C)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 5/20 0.40
▸ IGF1R P08069 1/20 0.37
▸ CCNT1 O60563 3/20 0.37
▸ CDK9 P50750 3/20 0.37
▸ MAPK9 P45984 2/20 0.36
▸ DNMT3A Q9Y6K1 1/20 0.36
▸ FGFR4 P22455 1/20 0.36
▸ JUN P05412 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ MET P08581 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CCND3 P30281 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ PDE4B Q07343 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
SCHEMBL31000149 0.88 CFTR (0.39) CFTRIGF1RCCNT1CDK9MAPK9
SCHEMBL30698347 0.88 ALK (0.38) CFTRCCNT1CDK9DNMT3AALK
SCHEMBL31000196 0.88 CFTR (0.39) CFTRIGF1RCCNT1CDK9MAPK9
SCHEMBL31000195 0.86 CFTR (0.36) CFTRIGF1RCCNT1CDK9MAPK9
SCHEMBL31000106 0.86 CFTR (0.37) CFTRIGF1RCCNT1CDK9MAPK9
SCHEMBL31000138 0.84 PDE4D (0.37) CFTRCCNT1CDK9MAPK9JUN
SCHEMBL30248495 0.83 IGF1R (0.38) CFTRIGF1RCCNT1CDK9MAPK9
SCHEMBL31000243 0.82 CFTR (0.39) CFTRIGF1RCCNT1CDK9CDK2
SCHEMBL31000175 0.81 FLT3 (0.40) IGF1RCCNT1CDK9MAPK9CDK2
SCHEMBL24975704 0.80 CFTR (0.35) CFTRCCNT1CDK9DNMT3AALK

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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