SCHEMBL6196856

SCHEMBL6196856

CCCn1nc(C(C)C)c(C(N)=O)c1N

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.35
LCK P06239 1/20 0.35
KDR P35968 1/20 0.35
TGFBR1 P36897 1/20 0.35
RET P07949 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SRC P12931 2/20 0.34
PDPK1 O15530 1/20 0.33
GRIA4 P48058 1/20 0.32
IKBKB O14920 1/20 0.31
MIF P14174 1/20 0.31
RECQL P46063 1/20 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
SCHEMBL7347255 0.79 MAPK1 (0.43) RIPK2LCKKDRTGFBR1SMN1; SMN2
SCHEMBL20334823 0.78 RET (0.38) RIPK2KDRRETSRCPDPK1
SCHEMBL20334789 0.73 RET (0.52) RETSRCPDPK1MIF
SCHEMBL25061778 0.70 RET (0.35) RIPK2LCKKDRTGFBR1RET
SCHEMBL6195848 0.70 PIK3CG (0.37) SMN1; SMN2RECQL
SCHEMBL27475909 0.70 MAPK1 (0.41) RIPK2LCKKDRTGFBR1SMN1; SMN2
SCHEMBL20551370 0.69 MAPK1 (0.46) SMN1; SMN2GRIA4
SCHEMBL6197798 0.69 SRC (0.35) SRCIKBKB
SCHEMBL27492051 0.69 PDPK1 (0.36) RIPK2LCKKDRTGFBR1RET
SCHEMBL20550727 0.68 GAA (0.36) GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0995751-B1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER (US) 2005-06-29 EP disclosed
US-6407114-B1 BENIGN PROSTATIC HYPERPLASIA, CARDIOVASCULAR, GASTROINTESTINAL AND RESPIRATORY DISORDER TREATMENT; ANTIASTHMATIC, ANTIALLERGEN, AND ANTIDIABETIC AGENTS PFIZER INC. 2002-06-18 US disclosed
EP-0995751-A2 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. (US) 2000-04-26 EP disclosed