SCHEMBL469978

SCHEMBL469978

CNc1cc(C)nn2c(C)cnc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 6/20 0.39
PDE4D Q08499 6/20 0.39
IKBKB O14920 4/20 0.34
CHUK O15111 3/20 0.34
ALOX15 P16050 1/20 0.33
CYP1A2 P05177 1/20 0.32
CRHR1 P34998 1/20 0.31
PDE10A Q9Y233 5/20 0.31
HTR2B P41595 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL24263560 0.83 TYK2 (0.38) TYK2PDE4DIKBKBCHUKPDE10A
SCHEMBL19336869 0.81 TYK2 (0.43) TYK2IKBKBCHUKALOX15CYP1A2
SCHEMBL469938 0.77 KDM4E (0.41) CYP1A2PDE10A
SCHEMBL24263271 0.75 TYK2 (0.43) TYK2PDE4D
SCHEMBL16556413 0.73 BRD4 (0.51) ALOX15
SCHEMBL14902322 0.68 SYK (0.35) IKBKBHTR6
SCHEMBL31285448 0.65 TYK2 (0.34) TYK2PDE4D
SCHEMBL103800 0.64 KDM4E (0.62) CYP1A2
SCHEMBL23181522 0.63 UHRF1 (0.35) CYP1A2
SCHEMBL3018000 0.63 PDE10A (0.36) PDE10A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023178234-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. (US) 2023-09-21 WO disclosed
WO-2023178235-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. (US) 2023-09-21 WO disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed