SCHEMBL9601577

SCHEMBL9601577

CC(CN(C)C)Oc1ccc(-n2nc3c(cc2=O)CSc2ccc(F)cc2-3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.37
AURKA O14965 1/20 0.32
CHEK2 O96017 1/20 0.32
CDK1 P06493 1/20 0.32
PIM1 P11309 1/20 0.32
FGFR1 P11362 1/20 0.32
CDK2 P24941 1/20 0.32
MARK3 P27448 1/20 0.32
CSNK2A1 P68400 1/20 0.32
MARK2 Q7KZI7 1/20 0.32
DHODH Q02127 2/20 0.32
MMP12 P39900 1/20 0.32
TOP1 P11387 1/20 0.31
NOTUM Q6P988 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
PTGS1 P23219 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
SCHEMBL9865465 0.90 MCHR1 (0.38) MCHR1MMP12TOP1CA12CA1
SCHEMBL9867408 0.89 ALDH1A1 (0.37) MCHR1MMP12TOP1CA12CA1
SCHEMBL9866342 0.89 MCHR1 (0.36) MCHR1MMP12TOP1CA12CA1
SCHEMBL9602979 0.88 MCHR1 (0.43) MCHR1TOP1CA12CA1CA2
SCHEMBL9866572 0.88 MMP12 (0.40) MCHR1AURKACHEK2MARK3MMP12
SCHEMBL9603117 0.85 CDK4 (0.39) CDK2
SCHEMBL9866081 0.84 HRH3 (0.33) MMP12CA12CA1CA2CA9
SCHEMBL9866296 0.82 MCHR1 (0.37) MCHR1TOP1NOTUM
SCHEMBL9865814 0.81 MCHR1 (0.36) MCHR1DHODHTOP1HRH3
SCHEMBL9602271 0.80 MCHR1 (0.39) MCHR1TOP1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351435-B1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1993-08-04 EP disclosed
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed