SCHEMBL24328006

SCHEMBL24328006

Cc1cnc(Nc2ccc(C3CCNCC3)cc2)nc1Nc1cccc([SH](=O)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.54
BTK Q06187 2/20 0.51
STK17A Q9UEE5 1/20 0.48
AXL P30530 1/20 0.47
TYRO3 Q06418 1/20 0.47
MERTK Q12866 1/20 0.47
SYK P43405 1/20 0.47
EGFR P00533 2/20 0.47
JAK2 O60674 3/20 0.46
JAK3 P52333 2/20 0.46
JAK1 P23458 1/20 0.46
BRD2 P25440 1/20 0.46
BRD3 Q15059 1/20 0.46
BRDT Q58F21 1/20 0.46
TNK2 Q07912 2/20 0.45
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL270738 0.84 BRD4 (0.61) BRD4BTKSTK17AAXLTYRO3
SCHEMBL22511632 0.83 PDGFRB (0.65) BRD4STK17AJAK2JAK3JAK1
Hydrochloric Acid SCHEMBL267077 0.83 BRD4 (0.60) BRD4BTKSTK17AAXLTYRO3
SCHEMBL30459516 0.81 BRD4 (0.65) BRD4BTKSTK17AAXLMERTK
SCHEMBL24327155 0.81 BRD4 (0.65) BRD4BTKSTK17AAXLMERTK
SCHEMBL17915902 0.78 SYK (0.49) BRD4BTKAXLTYRO3MERTK
SCHEMBL264050 0.76 BRD4 (0.66) BRD4EGFRJAK2JAK3JAK1
SCHEMBL14536087 0.76 BRD4 (0.75) BRD4JAK2JAK3JAK1BRD2
SCHEMBL270249 0.75 BRD4 (0.47) BRD4BTKAXLTYRO3MERTK
SCHEMBL310838 0.75 CACNA2D1 (0.49) BRD4BTKSTK17AAXLTYRO3

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-2022068933-A1 COMPOUNDS AND METHODS OF TREATING DISEASES CULLGEN (SHANGHAI) , INC. (CN) 2022-04-07 WO disclosed