SCHEMBL9640969

SCHEMBL9640969

CSc1nc(Cl)nc(Cl)c1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
HTT P42858 3/20 0.53
GLA P06280 2/20 0.53
TSHR P16473 1/20 0.53
KDM4E B2RXH2 7/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
LMNA P02545 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 2/20 0.43
ALDH1A1 P00352 7/20 0.42
HPGD P15428 3/20 0.42
GALR3 O60755 1/20 0.42
HIF1A Q16665 1/20 0.42
PKM P14618 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL15955611 0.82 KMT2A (0.56) KMT2AMEN1HTTGLATSHR
SCHEMBL6441907 0.81 ALDH1A1 (0.52) KMT2AMEN1HTTGLATSHR
SCHEMBL8986160 0.81 MEN1 (0.60) KMT2AMEN1HTTGLATSHR
SCHEMBL1014917 0.78 ALDH1A1 (0.46) KMT2AMEN1HTTGLATSHR
SCHEMBL15955510 0.77 KMT2A (0.46) KMT2AMEN1HTTGLATSHR
SCHEMBL2717778 0.75 KMT2A (0.45) KMT2AMEN1HTTGLATSHR
SCHEMBL2911376 0.73 KMT2A (0.64) KMT2AMEN1HTTGLATSHR
SCHEMBL8382994 0.73 NPSR1 (0.59) KMT2AMEN1HTTTSHRKDM4E
SCHEMBL11826738 0.72 KDM4E (0.48) KMT2AMEN1HTTGLATSHR
SCHEMBL2132489 0.72 KMT2A (0.60) KMT2AMEN1HTTGLATSHR

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