SCHEMBL1745899

SCHEMBL1745899

Clc1ccc2nc(-c3ccncc3)c(I)n2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.41
DYRK2 Q92630 5/20 0.41
DYRK3 O43781 4/20 0.41
CCNA2 P20248 4/20 0.41
CDK2 P24941 4/20 0.41
CDK5 Q00535 4/20 0.41
CDK5R1 Q15078 4/20 0.41
DYRK1B Q9Y463 4/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NTRK1 P04629 1/20 0.38
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
CCNT1 O60563 3/20 0.35
CDK9 P50750 3/20 0.35
MAPK13 O15264 2/20 0.35
GCGR P47871 2/20 0.35
MAPK12 P53778 2/20 0.35
MAPK11 Q15759 2/20 0.35

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
SCHEMBL3108672 0.86 AKT1 (0.41) DYRK1ADYRK2DYRK3CCNA2CDK2
SCHEMBL3115930 0.86 NTRK1 (0.50) DYRK1ADYRK2DYRK3CCNA2CDK2
SCHEMBL1394183 0.83 AKT1 (0.40) DYRK1ADYRK2DYRK3CCNA2CDK2
SCHEMBL3724143 0.81 GAA (0.38) DYRK1ADYRK2DYRK3CCNA2CDK2
SCHEMBL3112016 0.78 AKT1 (0.61) DYRK1ADYRK2DYRK3CCNA2CDK2
SCHEMBL1746707 0.76 HTT (0.43) DYRK1AAKT1AKT2MAPK13MAPK12
SCHEMBL3726451 0.75 FYN (0.40) DYRK1ADYRK2DYRK3CCNA2CDK2
SCHEMBL3721378 0.73 ALDH1A1 (0.37) DYRK1ADYRK2DYRK3CCNA2CDK2
SCHEMBL3728019 0.73 MKNK1 (0.39) DYRK1ADYRK2DYRK3CCNA2CDK2
SCHEMBL10223832 0.72 CSNK1E (0.56) DYRK1ADYRK2DYRK3CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385946-A1 DERIVATIVES OF 6-CYCLOAMINO-2,3-DI-PYRIDINYL-IMIDAZO[1,2-B]-PYRIDAZINE, PREPARATION AND TUERAPEUTIC APPLICATION THEREOF SANOFI (FR) 2011-11-16 EP disclosed
US-8040450-B2 Liquid crystal electro-optic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-10-18 US disclosed
WO-2010070238-A1 DERIVATIVES OF 6-CYCLOAMINO-2,3-DI-PYRIDINYL-IMIDAZO[1,2-B]-PYRIDAZINE, PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2010-06-24 WO disclosed
WO-2010070238-A1 DERIVATIVES OF 6-CYCLOAMINO-2,3-DI-PYRIDINYL-IMIDAZO[1,2-B]-PYRIDAZINE, PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2010-06-24 WO disclosed