SCHEMBL24511405

SCHEMBL24511405

C=C(C)c1ncc(C2CCN([C@H]3CC[C@@H](C(C)=O)CC3)CC2)cn1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 9/20 0.34
▸ BTK Q06187 9/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SLC18A3 Q16572 1/20 0.33
▸ LCK P06239 7/20 0.33
▸ QDPR P09417 1/20 0.33
▸ EGFR P00533 3/20 0.33
▸ CHRM2 P08172 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ OPRL1 P41146 1/20 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
SCHEMBL26157132 0.85 SLC18A3 (0.36) JAK3BTKKDM4EALDH1A1SLC18A3
SCHEMBL23602804 0.79 KDM4E (0.35) JAK3BTKKDM4EALDH1A1SLC18A3
SCHEMBL26157130 0.79 HRH3 (0.39) JAK3BTKKDM4ELCKCYP2C19
SCHEMBL25111181 0.78 JAK3 (0.34) JAK3BTKSLC18A3LCKEGFR
SCHEMBL25109073 0.78 JAK3 (0.34) JAK3BTKSLC18A3LCKEGFR
SCHEMBL22794061 0.74 IRAK4 (0.41) JAK3BTKKDM4EALDH1A1SLC18A3
SCHEMBL25604617 0.71 JAK3 (0.35) JAK3BTKKDM4EALDH1A1SLC18A3
SCHEMBL25604629 0.71 JAK3 (0.35) JAK3BTKKDM4EALDH1A1SLC18A3
SCHEMBL25604813 0.71 CHRM4 (0.39) JAK3BTKSLC18A3CHRM2CHRM1
SCHEMBL25604873 0.71 CHRM4 (0.39) JAK3BTKCHRM2CHRM1

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-2022125800-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-06-16 — — WO disclosed
Send feedback