SCHEMBL9535623

SCHEMBL9535623

Cc1cc(-c2cccc(C(F)(F)F)c2)c2nc(C(F)(F)F)cn2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
KCNH2 Q12809 1/20 0.42
MAOB P27338 1/20 0.41
F2RL3 Q96RI0 1/20 0.41
PIM1 P11309 6/20 0.40
PIM2 Q9P1W9 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
FLT3 P36888 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40

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
SCHEMBL9535626 0.77 HSD11B1 (0.42) F2RL3HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL9537294 0.76 KDM4E (0.41) JAK2JAK3KCNH2KDM4EHSD17B10
SCHEMBL19987117 0.71 PIM1 (0.58) JAK2JAK3PIM1PIM2KDM4E
SCHEMBL11389842 0.70 JAK2 (0.45) JAK2JAK3MAOBF2RL3PIM1
SCHEMBL2640780 0.67 JAK2 (0.57) JAK2JAK3PIM1PIM2KDM4E
SCHEMBL10857864 0.67 KDM4E (0.60) F2RL3KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3226613 0.67 JAK2 (0.74) JAK2JAK3PIM1PIM2KDM4E
SCHEMBL18615002 0.67 JAK2 (0.57) JAK2JAK3PIM1PIM2KDM4E
SCHEMBL9535483 0.66 IKBKB (0.52) MAOBKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3923233 0.66 CRHR1 (0.37) KDM4ECYP1A2LMNA

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 4 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 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