SCHEMBL9536787

SCHEMBL9536787

CC(=O)Nc1nc(O)c2cc(/C=C/c3ccc(C(=O)O)cc3)cnc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.36
OGA O60502 1/20 0.36
ADORA1 P30542 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PIM1 P11309 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 2/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
RARA P10276 2/20 0.35
RARB P10826 2/20 0.35
RARG P13631 2/20 0.35
IP6K1 Q92551 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34

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
SCHEMBL9536792 1.00 ADORA3 (0.36) ADORA3OGAADORA1MEN1KMT2A
SCHEMBL9536443 0.88 PTPN1 (0.36) ADORA3OGAADORA1MEN1KMT2A
SCHEMBL9536451 0.88 PTPN1 (0.36) ADORA3OGAADORA1MEN1KMT2A
SCHEMBL9538316 0.88 RARG (0.38) ADORA3OGAADORA1NPC1RAB9A
SCHEMBL9538323 0.88 RARG (0.38) ADORA3OGAADORA1NPC1RAB9A
SCHEMBL9460885 0.83 ALDH1A1 (0.35) ADORA3ADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL9460890 0.83 ALDH1A1 (0.35) ADORA3ADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL9535789 0.80 ALDH1A1 (0.40) MEN1KMT2ANPC1RAB9APIM1
SCHEMBL9535793 0.80 ALDH1A1 (0.40) MEN1KMT2ANPC1RAB9APIM1
SCHEMBL9381589 0.80 EGLN1 (0.42) ADORA3ADORA1MEN1KMT2ARAB9A

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-0215063-B1 PYRIDO (2,3-d )PYRIMIDIN DERIVATIVES UNIV PRINCETON (US) 1993-11-03 EP disclosed
US-5026851-A Antineoplastic agents THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-06-25 US disclosed
US-4927828-A ANTITUMOR THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1990-05-22 US disclosed
US-4845216-A ANTITUMOR AGENTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-07-04 US disclosed
EP-0215063-A4 PYRIDO (2,3-d )PYRIMIDIN DERIVATIVES. UNIV PRINCETON (US) 1987-11-23 EP disclosed
US-4684653-A ANTITUMOR AGENTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1987-08-04 US disclosed
EP-0215063-A1 PYRIDO (2,3-d )PYRIMIDIN DERIVATIVES. UNIV PRINCETON (US) 1987-03-25 EP disclosed
WO-1986005181-A1 PYRIDO AD2,3-d BDPYRIMIDIN DERIVATIVES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1986-09-12 WO disclosed