SCHEMBL22940343

SCHEMBL22940343

Cc1ccc(N2CCN(N3CCN(C)CC3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 2/20 0.59
KMT2A Q03164 2/20 0.59
ADRA2C P18825 2/20 0.59
GAA P10253 2/20 0.59
PTK2B Q14289 2/20 0.59
GFER P55789 1/20 0.59
ESR2 Q92731 1/20 0.59
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
ADRB1 P08588 1/20 0.53
SIRT6 Q8N6T7 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
CHKA P35790 1/20 0.47
HTR3A P46098 1/20 0.47
ESRRB O95718 2/20 0.47
ESRRG P62508 2/20 0.47

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
SCHEMBL81814 0.94 MAPT (0.65) MAPTKDM4EALDH1A1KMT2AADRA2C
SCHEMBL15489560 0.94 MAPT (0.65) MAPTKDM4EALDH1A1KMT2AADRA2C
SCHEMBL82022 0.86 CHKA (0.64) MAPTKDM4EALDH1A1KMT2AADRA2C
SCHEMBL7105773 0.84 ADRB1 (0.70) MAPTKDM4EALDH1A1KMT2AADRA2C
SCHEMBL3414344 0.84 ADRB1 (0.70) MAPTKDM4EALDH1A1KMT2AADRA2C
SCHEMBL10063748 0.84 ADRB1 (0.70) MAPTKDM4EALDH1A1KMT2AADRA2C
SCHEMBL20231203 0.84 MAPT (0.63) MAPTKDM4EALDH1A1KMT2AADRA2C
SCHEMBL24921279 0.81 NPC1 (0.54) MAPTKDM4EALDH1A1KMT2AADRA2C
SCHEMBL22542025 0.81 ADRB1 (0.55) MAPTKDM4EALDH1A1KMT2AADRA2C
SCHEMBL14372238 0.80 AKR1C3 (0.73) MAPTALDH1A1GAAGFERNPC1

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
WO-2021180103-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2021-09-16 WO disclosed
WO-2021018018-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INIDBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2021-02-04 WO disclosed