SCHEMBL31039906

SCHEMBL31039906

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

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 12/20 0.59
▸ BTK Q06187 7/20 0.59
▸ JAK3 P52333 14/20 0.55
▸ EGFR P00533 3/20 0.53
▸ SYK P43405 1/20 0.51
▸ CCNK O75909 1/20 0.50
▸ CCNA2 P20248 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ CCND3 P30281 1/20 0.50
▸ CDK9 P50750 1/20 0.50
▸ CDK6 Q00534 1/20 0.50
▸ CKS1B P61024 1/20 0.49
▸ SKP1 P63208 1/20 0.49
▸ SKP2 Q13309 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL21946318 1.00 LCK (0.59) LCKBTKJAK3EGFRSYK
SCHEMBL21855164 1.00 LCK (0.59) LCKBTKJAK3EGFRSYK
SCHEMBL24927490 1.00 LCK (0.59) LCKBTKJAK3EGFRSYK
SCHEMBL21946907 0.91 LCK (0.54) LCKBTKJAK3EGFR
SCHEMBL21946911 0.91 LCK (0.54) LCKBTKJAK3EGFRSYK
SCHEMBL28637618 0.91 BTK (0.62) LCKBTKJAK3EGFRSYK
SCHEMBL21946753 0.90 CKS1B (0.48) LCKBTKJAK3EGFRSYK
SCHEMBL23484941 0.87 JAK3 (0.71) LCKBTKJAK3EGFR
SCHEMBL21946347 0.87 JAK3 (0.56) LCKBTKJAK3EGFR
SCHEMBL21946887 0.87 JAK3 (0.64) LCKBTKJAK3EGFR

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
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