SCHEMBL6623486

SCHEMBL6623486

Oc1cn2nc(Cl)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
DRD2 P14416 4/20 0.41
DRD4 P21917 4/20 0.41
DRD3 P35462 4/20 0.41
HTR1A P08908 3/20 0.41
ADRA1D P25100 3/20 0.41
ADRA1A P35348 3/20 0.41
ADRA1B P35368 3/20 0.41
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AHR P35869 4/20 0.37
DYRK3 O43781 3/20 0.35
CCNA2 P20248 3/20 0.35
CDK2 P24941 3/20 0.35
CDK5 Q00535 3/20 0.35
DYRK1A Q13627 3/20 0.35
CDK5R1 Q15078 3/20 0.35
DYRK2 Q92630 3/20 0.35
DYRK1B Q9Y463 3/20 0.35
CCNT1 O60563 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
SCHEMBL756100 0.81 KDM4E (0.50) KDM4EDRD2DRD4DRD3HTR1A
SCHEMBL1302985 0.76 KDM4E (0.46) KDM4EDRD2DRD4DRD3HTR1A
SCHEMBL477109 0.76 DYRK1A (0.53) KDM4EDRD2DRD4DRD3HTR1A
SCHEMBL16118521 0.76 KDM4E (0.46) KDM4EDRD2DRD4DRD3HTR1A
SCHEMBL20033886 0.76 KDM4E (0.46) KDM4EDRD2DRD4DRD3HTR1A
SCHEMBL7889606 0.76 DYRK1A (0.41) KDM4EALDH1A1SMN1; SMN2AHRDYRK1A
SCHEMBL3357291 0.76 KDM4E (0.46) KDM4EDRD2DRD4DRD3HTR1A
SCHEMBL19086949 0.76 KDM4E (0.46) KDM4EDRD2DRD4DRD3HTR1A
SCHEMBL29277966 0.76 DRD2 (0.51) KDM4EDRD2DRD4DRD3HTR1A
SCHEMBL3108835 0.74 NPC1 (0.54) KDM4EALDH1A1SMN1; SMN2CDK5CDK5R1

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
EP-0979231-B1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-11-24 EP disclosed
EP-1123936-B1 FUSED PYRIDAZINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-12-10 EP disclosed
US-6627630-B1 Preventing or treating allergic skin diseases such as contact dermatitis, pruritus, dried dermatitis, acute urticaria prurigo and antiallergins TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-30 US disclosed
EP-1243271-A1 NASAL DROPS CONTAINING FUSED PYRIDAZINE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-09-25 EP disclosed
EP-1123936-A1 FUSED PYRIDAZINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP disclosed
US-6248740-B1 FOR SUPPRESSION OF HISTAMINE OR EOSINOPHIL CHEMOTAXIS TO TREAT ASTHMA; ANTIALLERGENIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
EP-0979231-A1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
WO-1998049167-A1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-05 WO disclosed
EP-0238070-B1 Sulfonylurea compounds, their production and herbicidal use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-29 EP disclosed
US-5017212-A For rice paddies TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-05-21 US disclosed
EP-0238070-A2 Sulfonylurea compounds, their production and herbicidal use Takeda Chemical Industries, Ltd. (JP) 1987-09-23 EP disclosed