SCHEMBL9154403

SCHEMBL9154403

Nc1nc(N)c(F)c(C2CCCCN2)n1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
CHEK1 O14757 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
IKBKB O14920 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
PARP1 P09874 4/20 0.31

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
SCHEMBL2745264 0.75 HRH3 (0.45) MEN1KMT2ACCNA2CDK2CCNA1
SCHEMBL2745568 0.74 HRH3 (0.47) MEN1KMT2ACCNA2CDK2CCNA1
SCHEMBL2746051 0.72 HRH2 (0.41) HRH4
SCHEMBL27356363 0.72 MEN1 (0.40) MEN1CYP2D6CYP2C19KMT2APOLB
SCHEMBL27631803 0.71 DHFR (0.40) SMN1; SMN2
SCHEMBL10002364 0.69 CDK2 (0.39) MEN1CYP2D6CYP2C19KMT2APOLB
SCHEMBL9360365 0.68 CDK2 (0.34) MEN1CYP2D6CYP2C19KMT2APOLB
SCHEMBL8608363 0.67 MEN1 (0.39) MEN1CYP2D6CYP2C19KMT2APOLB
SCHEMBL28062920 0.66 MEN1 (0.35) MEN1CYP2D6CYP2C19KMT2APOLB
SCHEMBL11114694 0.65 MEN1 (0.40) MEN1CYP2D6CYP2C19KMT2APOLB

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