SCHEMBL28478552

SCHEMBL28478552

COc1cccnc1-c1ccnc(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.55
NOS3 P29474 2/20 0.47
NOS1 P29475 2/20 0.47
NOS2 P35228 2/20 0.47
MAPK10 P53779 1/20 0.44
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
ALOX5AP P20292 1/20 0.41
GSK3B P49841 1/20 0.41
PLAU P00749 1/20 0.41
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
NSD2 O96028 1/20 0.40
CASP6 P55212 1/20 0.40
G6PD P11413 1/20 0.40
CDC7 O00311 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL30591983 1.00 DYRK1A (0.55) DYRK1ANOS3NOS1NOS2MAPK10
SCHEMBL1224710 0.81 DYRK1A (0.55) DYRK1ANOS3NOS1NOS2CYP1A1
SCHEMBL7230871 0.81 MAP4K4 (0.50) ALOX5APPLAUMEN1KMT2AALDH1A1
SCHEMBL3361169 0.79 DYRK1A (0.60) DYRK1ANOS3NOS1NOS2MAPK10
SCHEMBL23956475 0.78 DYRK1A (0.52) DYRK1ANOS3NOS1NOS2CYP1A1
SCHEMBL3865219 0.78 SYK (0.48) ALOX5APPLAUPDGFRBPDGFRANSD2
SCHEMBL30592071 0.78 CYP11B1 (0.55) PLAUPDGFRBPDGFRAKDM4EMEN1
SCHEMBL12498949 0.78 CYP11B1 (0.55) PLAUPDGFRBPDGFRAKDM4EMEN1
SCHEMBL28480694 0.77 DYRK1A (0.58) DYRK1ANOS3NOS1NOS2MAPK10
SCHEMBL5702570 0.76 CA1 (0.50) PLAUPDGFRBPDGFRAKDM4EMEN1

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-111936486-B Heterocyclic compounds comprising pyridine as modulators of IL-12, IL-23 and/or IFN alpha responses 百时美施贵宝公司 2023-09-22 CN disclosed
CN-111936486-A Pyridine-containing heterocyclic compounds useful as modulators of IL-12, IL-23, and/or IFN alpha response 百时美施贵宝公司 2020-11-13 CN disclosed