SCHEMBL7277261

SCHEMBL7277261

c1cn(Cc2ncc[nH]2)cn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
CYP11B1 P15538 13/20 0.47
CYP11B2 P19099 11/20 0.46
CYP19A1 P11511 6/20 0.46
TBXAS1 P24557 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
QPCT Q16769 1/20 0.46
CYP4Z1 Q86W10 1/20 0.46
QPCTL Q9NXS2 1/20 0.46
CYP2A6 P11509 1/20 0.44
CYP2B6 P20813 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5456305 0.82 TBXAS1 (0.46) ALOX15CYP19A1TBXAS1KMT2A
SCHEMBL27835626 0.80 TAAR1 (0.40) ALOX15CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL8541930 0.77 TBXAS1 (0.58) TBXAS1MEN1KMT2A
SCHEMBL27228606 0.75 TBXAS1 (0.36) ALOX15CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL28065473 0.75 ALDH1A1 (0.40) ALOX15CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL28474546 0.74 TP53 (0.40) CYP19A1TBXAS1
SCHEMBL23206014 0.73 ALOX15 (0.50) ALOX15SMN1; SMN2
SCHEMBL13105237 0.71 CYP11B1 (0.72) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
SCHEMBL5456302 0.70 TBXAS1 (0.36) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
1-Methylimidazole SCHEMBL29204938 0.69 NFKB1 (0.48) ALOX15CYP19A1TBXAS1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6025489-A Tricyclic pteridinones and a process for their preparation SCHERING AKTIENGESELLSCHAFT (DE) 2000-02-15 US disclosed
EP-0429149-B1 Tricyclic pteridinones and a process for their preparation BERLEX LAB (US) 2000-01-05 EP disclosed
EP-0400583-B1 Imidazoquinoxalinones, their aza analogs and process for their preparation BERLEX LAB (US) 1999-11-17 EP disclosed
US-5854419-A Tricyclic pteridinones and a process for their preparation SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-29 US disclosed
US-5807880-A ANTICANCER AGENTS; DISEASES OF PROSTATE GLAND, MAMMARY GLANDS; ENDOMETRIOSIS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-09-15 US disclosed
US-5602252-A Tricyclic pteridinones and a process for their preparation BERLEX LABORATORIES, INC. 1997-02-11 US disclosed
EP-0721943-A1 AZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-07-17 EP disclosed
US-5166344-A Process for the preparation of imidazoquinoxalinones BERLEX LABORATORIES, INC. (US) 1992-11-24 US disclosed
US-5055465-A IMIDAZOQUINOXALINONES, THEIR AZA ANALOGS AND PROCESS FOR THEIR PREPARATION BERLEX LABORATORIES, INC. (US) 1991-10-08 US disclosed
EP-0429149-A1 Tricyclic pteridinones and a process for their preparation BERLEX LABORATORIES, INC. (US) 1991-05-29 EP disclosed
EP-0400583-A1 Imidazoquinoxalinones, their aza analogs and process for their preparation BERLEX LABORATORIES, INC. (US) 1990-12-05 EP disclosed