SCHEMBL9534772

SCHEMBL9534772

Cc1cc(-c2cccc(C(F)(F)F)c2)n2nc(C(F)(F)F)c(C#N)c2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 5/20 0.56
HPGD P15428 4/20 0.56
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
CTSS P25774 2/20 0.43
HSD17B10 Q99714 2/20 0.42
GLA P06280 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 1/20 0.40
CTSK P43235 1/20 0.39
GRM5 P41594 1/20 0.39
DYRK1A Q13627 4/20 0.39
DYRK2 Q92630 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL9537611 0.89 KDM4E (0.71) KDM4EALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL9468353 0.79 KDM4E (0.70) KDM4EALDH1A1HPGDSMN1; SMN2CTSS
SCHEMBL11463603 0.74 KDM4E (0.46) KDM4EALDH1A1HPGDCTSSHSD17B10
SCHEMBL11472391 0.74 NTRK1 (0.68) KDM4EALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL9728952 0.72 KDM4E (1.00) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL1924634 0.72 CTSS (0.49) KDM4EALDH1A1HPGDPOLBCTSS
SCHEMBL9534839 0.72 HSD17B10 (0.49) KDM4EALDH1A1HPGDHSD17B10DYRK1A
SCHEMBL3162498 0.70 KDM4E (0.64) KDM4ECTSSCTSKDYRK1ADYRK2
SCHEMBL11462951 0.70 KDM4E (0.59) KDM4ECTSSMAPTCTSKDYRK1A
SCHEMBL9534760 0.69 DYRK1A (0.46) KDM4EALDH1A1HPGDPOLBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0353902-B1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-05-05 EP claimed
EP-0440659-A1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-08-14 EP claimed
WO-1990012012-A1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-10-18 WO claimed
WO-1990001030-A1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-02-08 WO claimed
EP-0353902-A1 Substituted phenyltriazolopyrimidine herbicides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-02-07 EP claimed
EP-0353902-B1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-05-05 EP disclosed
US-5127936-A Substituted phenyltriazolopyrimidine herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-07 US disclosed
WO-1990012012-A1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-10-18 WO disclosed
EP-0353902-A1 Substituted phenyltriazolopyrimidine herbicides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-02-07 EP disclosed