SCHEMBL9639451

SCHEMBL9639451

CSc1nc(NC2CC2)nc(N)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.46
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
MAPT P10636 6/20 0.45
KDM4E B2RXH2 4/20 0.45
HTT P42858 3/20 0.45
LMNA P02545 3/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 1/20 0.45
ALDH1A1 P00352 8/20 0.42
TSHR P16473 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 4/20 0.40
HIF1A Q16665 2/20 0.40
GALR3 O60755 2/20 0.40
GLA P06280 1/20 0.39
GAA P10253 1/20 0.35
USP2 O75604 1/20 0.34

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
SCHEMBL120066 0.84 CTSK (0.38) NPSR1MEN1KMT2AMAPTKDM4E
Water SCHEMBL6817641 0.84 CTSK (0.38) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL9640912 0.82 KMT2A (0.45) NPSR1MEN1KMT2AMAPTKDM4E
Cyromazine SCHEMBL5742773 0.78 CCNA2 (0.39) MEN1KMT2AACHE
SCHEMBL27847094 0.74 MAPK8 (0.39) NPSR1KMT2AMAPTKDM4EHTT
SCHEMBL9812684 0.71 ALOX15 (0.36) MAPTKDM4EHTTLMNAMAPK1
SCHEMBL21933409 0.70 CTSK (0.36)
SCHEMBL8986160 0.69 MEN1 (0.60) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL10272163 0.69 GAA (0.56) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL4907067 0.67 PDE4A (0.44) KDM4EMAPK1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102399193-A Preparation method of 4, 6-diamino-2-cyclopropylamino-5-cyanopyrimidine LIANYUNGANG YAHUI MEDICAL CHEMICAL CO LTD 2012-04-04 CN disclosed
CN-102250017-A Synthesizing method of dicyclanil Yangzhou tianhe pharmaceutical co ltd 2011-11-23 CN disclosed
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
CN-87103168-A The pyrimidines that replaces 1987-12-16 CN disclosed
EP-0244360-A2 Substituted pyrimidines CIBA-GEIGY AG (CH) 1987-11-04 EP disclosed