SCHEMBL9640682

SCHEMBL9640682

CCN(CC)c1nc(N)c(C#N)c(N)n1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
KDM4E B2RXH2 12/20 0.47
MAPT P10636 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
HPGD P15428 5/20 0.47
NPSR1 Q6W5P4 3/20 0.47
ALDH1A1 P00352 5/20 0.44
RECQL P46063 3/20 0.44
HSD17B10 Q99714 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL9640909 0.85 NPSR1 (0.48) TSHRTDP1KDM4EMAPTMEN1
SCHEMBL9639513 0.82 TSHR (0.44) TSHRTDP1KDM4EMAPTMEN1
SCHEMBL11175512 0.76 TSHR (0.57) TSHRTDP1KDM4EMAPTMEN1
SCHEMBL9641018 0.76 MAPK8 (0.44) TSHRTDP1KDM4EMAPTMEN1
SCHEMBL11169559 0.71 TSHR (0.50) TSHRTDP1KDM4EMAPTMEN1
SCHEMBL2741119 0.69 TDP1 (0.64) TSHRTDP1MAPTMEN1KMT2A
SCHEMBL27571535 0.69 MAPT (0.40) TSHRTDP1KDM4EMAPTMEN1
SCHEMBL17254246 0.69 ALDH1A1 (0.54) KDM4EHPGDNPSR1ALDH1A1RECQL
SCHEMBL2339204 0.69 MAPT (0.60) TSHRTDP1KDM4EMAPTMEN1
SCHEMBL2338559 0.69 MAPT (0.66) TSHRTDP1KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244360-B1 SUBSTITUTED PYRIMIDINES CIBA-GEIGY AG (CH) 1992-08-19 EP disclosed
EP-0273862-B1 NON-AQUEOUS LIQUID ECTOPARASITICIDAL POUR-ON FORMULATION CIBA-GEIGY AG (CH) 1991-07-10 EP disclosed
US-4783468-A Insecticidal 5-pyrimidine carbonitriles CIBA-GEIGY CORPORATION (US) 1988-11-08 US disclosed
EP-0273862-A2 Non-aqueous liquid ectoparasiticidal pour-on formulation CIBA-GEIGY AG (CH) 1988-07-06 EP disclosed
EP-0244360-A2 Substituted pyrimidines CIBA-GEIGY AG (CH) 1987-11-04 EP disclosed