SCHEMBL31639355

SCHEMBL31639355

COc1cc2ncc(-c3nc(N[C@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]4F)c(CO[Si](C)(C)C(C)(C)C)cc3F)n2nc1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNMT3A Q9Y6K1 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CCND3 P30281 1/20 0.33
▸ CDK6 Q00534 1/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ BTK Q06187 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CFTR P13569 2/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ EHMT2 Q96KQ7 1/20 0.32
▸ RCOR1 Q9UKL0 1/20 0.32
▸ TRPV3 Q8NET8 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32

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
SCHEMBL31639084 0.84 CDK4 (0.36) DNMT3ACDK4CCND1CCND3CDK6
SCHEMBL31000072 0.83 CDK4 (0.45) DNMT3ACDK4CCND1CCND3CDK6
SCHEMBL30698310 0.82 ALK (0.35) DNMT3AMAPTCDK4CCND1CCND3
SCHEMBL31000311 0.80 CDK4 (0.45) DNMT3ACDK4CCND1CCND3CDK6
SCHEMBL31000209 0.80 CDK4 (0.43) DNMT3ACDK4CCND1CCND3CDK6
SCHEMBL31000233 0.80 CDK4 (0.45) DNMT3ACDK4CCND1CCND3CDK6
SCHEMBL30698359 0.80 ALK (0.35) DNMT3ACDK4CCND1CCND3CDK6
SCHEMBL31000104 0.79 IGF1R (0.40) CDK4CCND1CCND3CDK6ALK
SCHEMBL31639210 0.79 USP30 (0.38) DNMT3ACDK4CCND1CCND3CDK6
SCHEMBL31739613 0.79 ALK (0.35) DNMT3ACDK4CCND1CCND3CDK6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025137567-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2025-06-26 — — WO disclosed
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