SCHEMBL31039916

SCHEMBL31039916

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3nc(N4CCCCC4)cnc3C#N)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 8/20 0.60
▸ LCK P06239 5/20 0.60
▸ BTK Q06187 3/20 0.60
▸ EGFR P00533 1/20 0.57
▸ CCND3 P30281 2/20 0.49
▸ CCNK O75909 1/20 0.49
▸ CCNA2 P20248 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ CDK9 P50750 1/20 0.49
▸ CDK6 Q00534 1/20 0.49
▸ CKS1B P61024 2/20 0.49
▸ SKP1 P63208 2/20 0.49
▸ SKP2 Q13309 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CDK4 P11802 1/20 0.46
▸ CCND1 P24385 1/20 0.46

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
SCHEMBL24927487 1.00 JAK3 (0.60) JAK3LCKBTKEGFRCCND3
SCHEMBL21946882 1.00 JAK3 (0.60) JAK3LCKBTKEGFRCCND3
SCHEMBL21946316 1.00 JAK3 (0.60) JAK3LCKBTKEGFRCCND3
SCHEMBL21946354 0.91 JAK3 (0.56) JAK3LCKBTKEGFRCCND3
SCHEMBL21946309 0.90 JAK3 (0.51) JAK3LCKBTKEGFRCCND3
SCHEMBL21946794 0.87 JAK3 (0.77) JAK3LCKBTKEGFRJAK2
SCHEMBL21946884 0.87 JAK3 (0.70) JAK3LCKBTKEGFRCKS1B
SCHEMBL19824686 0.86 JAK3 (0.74) JAK3LCKBTKEGFRCKS1B
SCHEMBL21946362 0.86 JAK3 (0.78) JAK3LCKBTKEGFRJAK2
SCHEMBL30448209 0.86 JAK3 (0.78) JAK3LCKBTKEGFRJAK2

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
CN-118955473-A Difunctional compounds for degrading BTK via the ubiquitin proteasome pathway 紐力克斯治疗公司 2024-11-15 — — CN disclosed
CN-113412259-B Difunctional compounds for degrading BTK via the ubiquitin proteasome pathway 紐力克斯治疗公司 2024-07-16 — — CN disclosed
Send feedback