SCHEMBL31639346

SCHEMBL31639346

COc1cc2ncc(-c3ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c(N[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)n3)n2nc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.38
▸ NSD2 O96028 2/20 0.36
▸ CFTR P13569 3/20 0.36
▸ PIM1 P11309 2/20 0.35
▸ PIM2 Q9P1W9 2/20 0.35
▸ PIK3CA P42336 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ BTK Q06187 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
▸ KMT2A Q03164 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ APLNR P35414 2/20 0.34
▸ EHMT2 Q96KQ7 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
SCHEMBL31639300 0.84 CFTR (0.40) PIK3CDNSD2CFTRPIM1PIM2
SCHEMBL31639342 0.82 NRAS (0.44) —
SCHEMBL31639374 0.79 PIK3CD (0.43) PIK3CDNSD2CFTRPIK3CAKMT2A
SCHEMBL30698291 0.79 PIK3CD (0.40) PIK3CDNSD2CFTRPIM1PIM2
SCHEMBL24542621 0.78 FLT3 (0.44) PIK3CDCFTRIGF1RUSP30
SCHEMBL31639322 0.77 BTK (0.36) PIK3CDNSD2CFTRPIM1PIM2
SCHEMBL31639286 0.76 KMT2A (0.39) PIK3CDNSD2CFTRPIM1PIM2
SCHEMBL30698312 0.76 IKBKE (0.40) PIK3CDNSD2CFTRKDM4EMEN1
SCHEMBL31639540 0.76 FYN (0.33) IGF1R
SCHEMBL31639367 0.76 FYN (0.33) IGF1R

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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