SCHEMBL5255345

SCHEMBL5255345

NC(=O)c1cccnc1Nc1cccc(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.71
RAB9A P51151 6/20 0.65
NPC1 O15118 5/20 0.65
ALDH1A1 P00352 5/20 0.65
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
MAPT P10636 4/20 0.65
KCNH2 Q12809 1/20 0.65
HTT P42858 3/20 0.64
HPGD P15428 2/20 0.64
SMN1; SMN2 Q16637 5/20 0.63
AHR P35869 1/20 0.60
PIM1 P11309 2/20 0.57
PIM2 Q9P1W9 1/20 0.57
DHODH Q02127 3/20 0.55
GFER P55789 1/20 0.53
KDM4E B2RXH2 1/20 0.51
PKM P14618 2/20 0.51
MAPK1 P28482 1/20 0.51
GMNN O75496 1/20 0.51

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
SCHEMBL4905983 0.87 DHODH (0.72) LMNARAB9ANPC1ALDH1A1MEN1
SCHEMBL9132692 0.87 NPC1 (0.58) LMNARAB9ANPC1ALDH1A1MEN1
SCHEMBL28282946 0.84 LMNA (0.73) LMNARAB9ANPC1ALDH1A1MEN1
SCHEMBL28824933 0.84 RAB9A (0.76) LMNARAB9ANPC1ALDH1A1MEN1
SCHEMBL29898323 0.84 RAB9A (0.76) LMNARAB9ANPC1ALDH1A1MEN1
SCHEMBL7271426 0.84 MEN1 (0.58) LMNARAB9ANPC1ALDH1A1MEN1
SCHEMBL28949487 0.83 LMNA (0.71) LMNARAB9ANPC1ALDH1A1MEN1
SCHEMBL5083062 0.83 RAB9A (0.72) LMNARAB9ANPC1ALDH1A1MEN1
SCHEMBL29898238 0.83 LMNA (0.71) LMNARAB9ANPC1ALDH1A1MEN1
SCHEMBL9496511 0.83 LMNA (1.00) LMNARAB9ANPC1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116574053-A RIPK1 kinase target inhibitor and medical application thereof 中国药科大学 2023-08-11 CN disclosed
CN-114989079-B RIPK1 kinase target inhibitor and medical application thereof 中国药科大学 2023-06-23 CN disclosed
CN-114989079-A RIPK1 kinase target inhibitor and medical application thereof 中国药科大学 2022-09-02 CN disclosed
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
US-5264437-A Antiinflammatory agents, immunosuppressants or antiallergens SYNTEX (U.S.A.) INC. (US) 1993-11-23 US disclosed
WO-1993019068-A1 PYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-09-30 WO disclosed