SCHEMBL21946309

SCHEMBL21946309

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3nc(N4CCCCC4)cnc3C#N)nc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 4/20 0.51
▸ LCK P06239 2/20 0.51
▸ BTK Q06187 2/20 0.51
▸ EGFR P00533 1/20 0.51
▸ CKS1B P61024 2/20 0.47
▸ SKP1 P63208 2/20 0.47
▸ SKP2 Q13309 2/20 0.47
▸ WNT3A P56704 1/20 0.44
▸ GPR119 Q8TDV5 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CCND3 P30281 2/20 0.41
▸ CCNK O75909 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ CDK6 Q00534 1/20 0.41

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
SCHEMBL21946316 0.90 JAK3 (0.60) JAK3LCKBTKEGFRCKS1B
SCHEMBL21946882 0.90 JAK3 (0.60) JAK3LCKBTKEGFRCKS1B
SCHEMBL24927487 0.90 JAK3 (0.60) JAK3LCKBTKEGFRCKS1B
SCHEMBL31039916 0.90 JAK3 (0.60) JAK3LCKBTKEGFRCKS1B
SCHEMBL21946753 0.85 CKS1B (0.48) JAK3LCKBTKEGFRCKS1B
SCHEMBL21855375 0.85 JAK3 (0.58) JAK3LCKBTKEGFR
SCHEMBL21946354 0.83 JAK3 (0.56) JAK3LCKBTKEGFRCKS1B
SCHEMBL21946738 0.80 JAK3 (0.47) JAK3LCKBTKEGFRCKS1B
SCHEMBL19824686 0.80 JAK3 (0.74) JAK3LCKBTKEGFRCKS1B
SCHEMBL21946794 0.79 JAK3 (0.77) JAK3LCKBTKEGFRGPR119

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-2020081450-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2020-04-23 — — WO disclosed
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