SCHEMBL9640912

SCHEMBL9640912

CSc1nc(NC2CC2)nc(Cl)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
TSHR P16473 3/20 0.45
HTT P42858 3/20 0.45
GLA P06280 2/20 0.45
PKM P14618 1/20 0.42
PDE4A P27815 2/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 3/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 2/20 0.35
GALR3 O60755 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL4907067 0.84 PDE4A (0.44) PDE4AKDM4EMAPK1NSD2CTSV
SCHEMBL9639451 0.82 NPSR1 (0.46) KMT2AMEN1TSHRHTTGLA
SCHEMBL4416389 0.78 ACHE (0.43) PDE4AALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL11165353 0.77 MAPK8 (0.39) HTTPDE4AKDM4EMAPK1LMNA
SCHEMBL4909704 0.77 ADORA2B (0.44) KMT2AMEN1TSHRHTTGLA
Pyridine SCHEMBL4898097 0.73 ACHE (0.40) KMT2AMEN1TSHRPDE4ASMN1; SMN2
SCHEMBL9640969 0.72 KMT2A (0.53) KMT2AMEN1TSHRHTTGLA
SCHEMBL11174566 0.71 HTT (0.41) HTTPDE4AALDH1A1KDM4EMAPK1
SCHEMBL4907249 0.71 KMT2A (0.41) KMT2AMEN1PDE4AALDH1A1HPGD
SCHEMBL4906201 0.71 KMT2A (0.55) KMT2AMEN1ALDH1A1HPGDCYP1A2

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