SCHEMBL31639276

SCHEMBL31639276

COc1cc2ncc(-c3cc4c(c(N[C@H]5CN(C(=O)OC(C)(C)C)CC[C@@H]5F)n3)COC4)n2nc1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 1/20 0.35
▸ CFTR P13569 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MEN1 O00255 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
▸ MAPT P10636 1/20 0.34
▸ DNMT3A Q9Y6K1 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PIK3CD O00329 2/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ EHMT2 Q96KQ7 2/20 0.32
▸ ALK Q9UM73 2/20 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
SCHEMBL31639460 0.82 FLT3 (0.36) —
SCHEMBL30698312 0.80 IKBKE (0.40) NSD2CFTRKDM4EALDH1A1HPGD
SCHEMBL31000072 0.80 CDK4 (0.45) NSD2CFTRKDM4EALDH1A1HPGD
SCHEMBL30698336 0.80 SYK (0.38) NSD2CFTRKDM4EALDH1A1HPGD
SCHEMBL31000104 0.79 IGF1R (0.40) ALK
SCHEMBL31639084 0.78 CDK4 (0.36) NSD2CFTRKDM4EALDH1A1HPGD
SCHEMBL31000195 0.78 CFTR (0.36) CFTRKDM4EALDH1A1HPGDMEN1
SCHEMBL31639355 0.78 DNMT3A (0.34) NSD2CFTRKDM4EALDH1A1HPGD
SCHEMBL31000209 0.78 CDK4 (0.43) NSD2CFTRDNMT3ACCNT1CDK9
SCHEMBL24542620 0.78 FLT3 (0.40) CFTRKDM4EALDH1A1HPGDMEN1

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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