SCHEMBL5250412

SCHEMBL5250412

COC(=O)c1cccc(Nc2ncccc2C(N)=O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
MAPT P10636 8/20 0.60
ALDH1A1 P00352 5/20 0.60
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
KCNH2 Q12809 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.59
AHR P35869 1/20 0.59
MAPK1 P28482 3/20 0.56
HTT P42858 2/20 0.56
PKM P14618 1/20 0.56
ROCK1 Q13464 1/20 0.55
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
HPGD P15428 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50

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
SCHEMBL7440301 0.91 MEN1 (0.60) LMNAMAPTALDH1A1RAB9ANPC1
SCHEMBL5252367 0.89 MEN1 (0.71) LMNAMAPTALDH1A1RAB9ANPC1
SCHEMBL28284502 0.85 LMNA (0.65) LMNAMAPTALDH1A1RAB9ANPC1
SCHEMBL6797385 0.85 ROCK1 (0.60) LMNAMAPTALDH1A1RAB9ANPC1
SCHEMBL22453121 0.84 ABCG2 (0.53) LMNAMAPTALDH1A1RAB9ANPC1
SCHEMBL5078978 0.84 MEN1 (0.79) LMNAMAPTALDH1A1RAB9ANPC1
SCHEMBL2686638 0.82 MAPK1 (0.55) LMNAMAPTALDH1A1RAB9ANPC1
SCHEMBL5083062 0.82 RAB9A (0.72) LMNAMAPTALDH1A1RAB9ANPC1
SCHEMBL6332639 0.81 MEN1 (0.60) LMNAMAPTALDH1A1RAB9ANPC1
SCHEMBL2714471 0.81 LMNA (0.70) LMNAMAPTALDH1A1RAB9ANPC1

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-1770093-A1 Pyrido¬2,3-d|pyrimidine derivatives as phosphodiesterase inhibitors Roche Palo Alto LLC (US) 2007-04-04 EP disclosed
EP-0631580-A1 PYRIDO 2,3-d]PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1995-01-04 EP disclosed
WO-1993019068-A1 PYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-09-30 WO disclosed