SCHEMBL29136434

SCHEMBL29136434

CN1Cc2cc(F)cnc2-c2cccc(N)c21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.35
PTPN11 Q06124 2/20 0.32
TGFBR1 P36897 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
NOS3 P29474 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30

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
SCHEMBL30663578 1.00 HTR5A (0.35) HTR5APTPN11TGFBR1ALOX5APFEN1
SCHEMBL29866652 0.87 HTR5A (0.32) HTR5APTPN11TGFBR1
SCHEMBL27107027 0.82 KDM4E (0.36) HTR5AALOX5APFEN1
SCHEMBL30663590 0.78 GABRG2 (0.41) PTPN11GABRG2GABRB3GABRA5
SCHEMBL29136423 0.78 CHRM2 (0.39)
SCHEMBL29865942 0.78 CHRM2 (0.39)
SCHEMBL30703395 0.72 DRD4 (0.47)
SCHEMBL25897379 0.72 DRD4 (0.47)
SCHEMBL29865894 0.71 PDE10A (0.32)
SCHEMBL26677538 0.71 PARP1 (0.39) HRH4NOS3

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
CN-117120440-A TYK2 inhibitor and application thereof 苏多生物科学有限公司 2023-11-24 CN disclosed