SCHEMBL6617261

SCHEMBL6617261

O=S1(=O)N=C(n2ccnc2)Nc2ncc(Cl)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.38
IDO1 P14902 3/20 0.37
NOTUM Q6P988 1/20 0.34
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
ADH5 P11766 2/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30

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
SCHEMBL6617400 0.78 NCOA3 (0.36) CRBNIDO1CYP3A4CYP2D6ALDH1A1
Water SCHEMBL6553144 0.74 CYP3A4 (0.36) CRBNIDO1NOTUMCYP3A4CYP2D6
SCHEMBL7950943 0.73 CRBN (0.33) CRBNIDO1NOTUMCYP3A4CYP2D6
SCHEMBL6618970 0.72 CRBN (0.36) CRBNIDO1NOTUMCA12CA9
SCHEMBL8625833 0.71 LMNA (0.56) CYP3A4CYP2D6ALDH1A1LMNACYP1A2
SCHEMBL7952055 0.68 ALDH1A1 (0.42) CRBNCYP3A4CYP2D6ALDH1A1LMNA
SCHEMBL4262382 0.63 ALDH1A1 (0.35) CYP3A4CYP2D6ALDH1A1LMNACYP1A2
SCHEMBL6619504 0.62 ALDH1A1 (0.35) CYP3A4CYP2D6ALDH1A1LMNACYP1A2
SCHEMBL4260435 0.62 CXCR2 (0.35) CYP3A4CYP2D6ALDH1A1LMNACYP1A2
SCHEMBL6622188 0.61 CXCR2 (0.41) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877748-B1 PYRIDO-1,2,4-THIADIAZINE AND PYRIDO-1,4-THIAZINE DERIVATIVES, THEIR PREPARATION AND USE UNIV LIEGE (BE) 2004-11-03 EP disclosed
CN-1208418-A Pyrido-1, 2, 4-thiadiazine and pyrido-1, 4-thiazine derivatives, preparation method and application thereof NOVO NORDISK AS (DK) 1999-02-17 CN disclosed
EP-0877748-A1 PYRIDO-1,2,4-THIADIAZINE AND PYRIDO-1,4-THIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-11-18 EP disclosed
US-5792764-A ENDOCRINE DISORDERS ESPECIALLY AS A K(ATP)-CHANNEL MODULATOR NOVO NORDISK A/S (DK) 1998-08-11 US disclosed
WO-1997026264-A1 PYRIDO-1,2,4-THIADIAZINE AND PYRIDO-1,4-THIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-07-24 WO disclosed