SCHEMBL9154409

SCHEMBL9154409

Nc1nc(N)c(F)c(N2CCCCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
HSD17B10 Q99714 1/20 0.43
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
NUDT1 P36639 1/20 0.41
CHUK O15111 1/20 0.40
CHRM3 P20309 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPY5R Q15761 1/20 0.38
PRKDC P78527 1/20 0.38
NOS1 P29475 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL27631782 0.81 NUDT1 (0.50) CYP1A2MAPTNUDT1CRHBPCRHR2
SCHEMBL9663929 0.80 LMNA (0.50) LMNAHSD17B10CYP2C9CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL6250270 0.78 LMNA (0.49) LMNAHSD17B10CYP2C9CYP2C19CYP1A2
SCHEMBL17822430 0.77 LMNA (0.55) LMNAHSD17B10CHUKCHRM3PDE4A
SCHEMBL17822445 0.77 LMNA (0.55) LMNAHSD17B10CHUKCHRM3PDE4A
SCHEMBL17979711 0.77 CHRM3 (0.49) LMNAHSD17B10CYP2C9CYP2C19CYP1A2
SCHEMBL28323735 0.77 LMNA (0.56) LMNAHSD17B10CYP2C9CYP2C19CYP1A2
SCHEMBL31419879 0.75 LMNA (0.53) LMNAHSD17B10CYP2C9CYP2C19MAPT
Hydrochloric Acid SCHEMBL17822431 0.75 LMNA (0.53) LMNAHSD17B10CHUKCHRM3PDE4A
SCHEMBL17822435 0.74 CTSK (0.52) LMNAHSD17B10CYP2C9CYP2C19CYP1A2

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
EP-0557301-B1 5-FLUORO-2,4,6-PYRIMIDINETRIAMINE COMPOUNDS FOR PREVENTING HAIR LOSS UPJOHN CO (US) 1995-03-22 EP claimed
US-5373012-A Useful in treatment of hair growth and cardiovascular disorder THE UPJOHN COMPANY (US) 1994-12-13 US claimed
EP-0557301-A1 5-FLUORO-2,4,6-PYRIMIDINETRIAMINE COMPOUNDS. UPJOHN CO (US) 1993-09-01 EP claimed
WO-1992008705-A1 5-FLUORO-2,4,6-PYRIMIDINETRIAMINE COMPOUNDS THE UPJOHN COMPANY (US) 1992-05-29 WO claimed
EP-0557301-B1 5-FLUORO-2,4,6-PYRIMIDINETRIAMINE COMPOUNDS FOR PREVENTING HAIR LOSS UPJOHN CO (US) 1995-03-22 EP disclosed
US-5373012-A Useful in treatment of hair growth and cardiovascular disorder THE UPJOHN COMPANY (US) 1994-12-13 US disclosed
EP-0557301-A1 5-FLUORO-2,4,6-PYRIMIDINETRIAMINE COMPOUNDS. UPJOHN CO (US) 1993-09-01 EP disclosed
WO-1992008705-A1 5-FLUORO-2,4,6-PYRIMIDINETRIAMINE COMPOUNDS THE UPJOHN COMPANY (US) 1992-05-29 WO disclosed