SCHEMBL25906166

SCHEMBL25906166

C=C(N)c1cc(NC)ccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
CBLB Q13191 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
APP P05067 1/20 0.32
PLK1 P53350 1/20 0.32
EGFR P00533 2/20 0.32
AR P10275 1/20 0.31
TYK2 P29597 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
SCHEMBL17076844 0.81 APP (0.43) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL16571764 0.81 GRIN2D (0.34) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL21386816 0.76 CBLB (0.30) CBLB
SCHEMBL1251612 0.76 KDM4E (0.55) CBLBARTYK2LMNA
SCHEMBL30792363 0.74 GRIN2D (0.34) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL14566951 0.74 KDR (0.48) CBLBEGFRTYK2ANO1LMNA
SCHEMBL24799619 0.73 AR (0.55) ARANO1LMNA
SCHEMBL24799646 0.72 ANO1 (0.46) ANO1
SCHEMBL883725 0.71 PIK3C3 (0.41) CBLBARTYK2
SCHEMBL24799682 0.71 ANO1 (0.42) GRIN2DGRIN3BCHRM1ADRA1DADRA1A

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
EP-4215520-A1 TMEM16A MODULATORS TMEM16A LIMITED (GB) 2023-07-26 EP disclosed